SCHEMBL893015

SCHEMBL893015

CC(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(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
SCHEMBL893017 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865051-B1 Bleaching compositions PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
US-8501448-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2013-08-06 US disclosed
US-20130086755-A1 Family 44 Xyloglucanases NOVOZYMES A/S (DK) 2013-04-11 US disclosed
EP-2285944-B1 LIQUID DETERGENT COMPOSITIONS NOVOZYMES AS (DK) 2013-03-13 EP disclosed
US-8354263-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2013-01-15 US disclosed
US-20120289450-A1 Cellulase Variants NOVOZYMES A/S (DK) 2012-11-15 US disclosed
US-20120079665-A1 FAMILY 44 XYLOGLUCANASES NOVOZYMES A/S (DK) 2012-04-05 US disclosed
US-8071351-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2011-12-06 US disclosed
US-20110250674-A1 CELLULASE VARIANTS NOVOZYMES A/S (DK) 2011-10-13 US disclosed
US-8017372-B2 Modified glucanase for use in textile and fabric treatment, detergents and papermaking NOVOZYMES A/S (DK) 2011-09-13 US disclosed
EP-0581752-B1 Built dye transfer inhibiting compositions PROCTER & GAMBLE (US) 1998-12-09 EP disclosed
EP-0390287-B1 Particulate detergent additive product, preparation and use thereof in detergent compositions UNILEVER NV (NL) 1994-03-02 EP disclosed
EP-0057088-B2 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-09-02 EP disclosed
EP-0085448-B2 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1990-10-10 EP disclosed
EP-0095904-B1 DETERGENT LIQUORS AND COMPOSITIONS FOR USE THEREIN THE PROCTER & GAMBLE COMPANY (US) 1986-09-03 EP disclosed
EP-0057088-B1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1985-08-21 EP disclosed
US-4502986-A TEA AND WINE THE PROCTER & GAMBLE COMPANY (US) 1985-03-05 US disclosed
EP-0040038-B1 GRANULAR DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-02-20 EP disclosed
EP-0051986-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1982-05-19 EP disclosed
EP-0040038-A2 Granular detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1981-11-18 EP disclosed