SCHEMBL893017

SCHEMBL893017

CC(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(NC(C)CO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[Na+].[Na+]

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.40
CA1 known ✓ P00915 2/20 0.39
THRB known ✓ P10828 1/20 0.39
P2RY4 known ✓ P51582 1/20 0.39
CA12 known ✓ O43570 1/20 0.38
KCNH3 Q9ULD8 10/20 0.55
RAD51 Q06609 3/20 0.47
NPSR1 Q6W5P4 2/20 0.40
CDK1 P06493 3/20 0.40
KDR P35968 3/20 0.40
CDK4 P11802 2/20 0.40
CDK2 P24941 2/20 0.40
CDK7 P50613 2/20 0.40
CDK9 P50750 2/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNH P51946 1/20 0.40
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CA9 Q16790 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL893015 1.00 KCNH3 (0.55) KCNH3RAD51NPSR1CA2CDK1
SCHEMBL29885454 1.00 KCNH3 (0.55) KCNH3RAD51NPSR1CA2CDK1
SCHEMBL30448563 0.90 KCNH3 (0.57) KCNH3NPSR1CA2CDK1KDR
SCHEMBL5632031 0.90 KCNH3 (0.57) KCNH3NPSR1CA2CDK1KDR
SCHEMBL793178 0.90 KCNH3 (0.57) KCNH3NPSR1CA2CDK1KDR
SCHEMBL893019 0.89 KCNH3 (0.56) KCNH3NPSR1CA2CDK1KDR
SCHEMBL16671688 0.89 RAD51 (0.49) KCNH3RAD51NPSR1CA2CA1
SCHEMBL10435962 0.87 RAD51 (0.47) KCNH3RAD51NPSR1CA2CA1
SCHEMBL893765 0.86 RAD51 (0.60) RAD51NPSR1CA2CA1CA9
SCHEMBL1169584 0.86 RAD51 (0.60) RAD51NPSR1CA2CA1CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275551-A1 INCORPORATION OF DYE INTO GRANULAR LAUNDRY DETERGENT CONOPCO, INC., D/B/A UNILEVER 2011-11-10 US claimed
US-20110131736-A1 SHADING COMPOSITION CONOPCO, INC., D/B/A UNILEVER 2011-06-09 US claimed
US-4271036-A Colorless formulations of optical brighteners from the series of bis-triazinylamino-stilbene-disulfonic acid compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-02 US claimed
CN-110831981-B Dual activated microgel 路博润先进材料公司 2022-06-24 CN disclosed
EP-2714878-B2 LIQUID LAUNDRY COMPOSITION UNILEVER PLC NO 41424 (GB) 2021-06-02 EP disclosed
EP-2591082-B1 COMPOSITIONS COMPRISING OPTICAL BENEFIT AGENTS UNILEVER PLC (GB) 2020-11-18 EP disclosed
CN-110831981-A Double activated microgel 路博润先进材料公司 2020-02-21 CN disclosed
EP-1865051-B1 Bleaching compositions PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
EP-2900799-B1 LAUNDRY DETERGENT PARTICLES UNILEVER PLC (GB) 2016-11-02 EP disclosed
US-9290725-B2 Laundry detergent particles CONOPCO INC. (US) 2016-03-22 US disclosed
US-9222061-B2 Laundry detergent particle CONOPCO, INC. (US) 2015-12-29 US disclosed
US-4399049-A PARTICLES EXTRUDED WITH ETHOXYLATED NONIONIC SURFACTANT; STORAGE STABILITY; RABID DISPERSION; LAUNDERING THE PROCTER & GAMBLE COMPANY (US) 1983-08-16 US disclosed
US-4333862-A Detergent compositions comprising mixture of cationic, anionic and nonionic surfactants THE PROCTER & GAMBLE COMPANY (US) 1982-06-08 US disclosed
EP-0051986-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1982-05-19 EP disclosed
US-4321165-A Detergent compositions comprising cationic, anionic and nonionic surfactants THE PROCTER & GAMBLE COMPANY (US) 1982-03-23 US disclosed
EP-0040038-A2 Granular detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1981-11-18 EP disclosed
EP-0034387-A2 Mulls containing chain structure clay suspension aids THE PROCTER & GAMBLE COMPANY (US) 1981-08-26 EP disclosed
US-4271036-A Colorless formulations of optical brighteners from the series of bis-triazinylamino-stilbene-disulfonic acid compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed
US-4264466-A LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1981-04-28 US disclosed
EP-0000224-A1 Liquid detergent composition for improved greasy soil removal THE PROCTER & GAMBLE COMPANY (US) 1979-01-10 EP disclosed