SCHEMBL893620

SCHEMBL893620

CC(O)N(c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(C(C)O)C(C)O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1)C(C)O.[Na+].[Na+]

nearest known ligand 0.47

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
CA12 known ✓ O43570 2/20 0.40
CA1 known ✓ P00915 2/20 0.40
CA2 known ✓ P00918 2/20 0.40
P2RY4 known ✓ P51582 4/20 0.38
THRB known ✓ P10828 1/20 0.38
P2RY12 known ✓ Q9H244 5/20 0.37
P2RY2 known ✓ P41231 3/20 0.37
P2RY6 known ✓ Q15077 2/20 0.37
RAD51 Q06609 5/20 0.47
CA9 Q16790 2/20 0.40
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL790851 0.91 ENPP2 (0.41) RAD51CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL16010169 0.90 ENPP2 (0.41) RAD51CA12CA1CA2CA9
SCHEMBL7897023 0.90 ENPP2 (0.41) RAD51CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL16010164 0.90 ENPP2 (0.41) RAD51CA12CA1CA2CA9
SCHEMBL6477656 0.88 RAD51 (0.42) RAD51CA12CA1CA2CA9
SCHEMBL16671688 0.88 RAD51 (0.49) RAD51CA12CA1CA2CA9
SCHEMBL1169584 0.87 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL893765 0.87 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL29737199 0.87 RAD51 (0.60) RAD51CA12CA1CA2CA9
SCHEMBL30532269 0.87 RAD51 (0.60) RAD51CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005950-B2 Pectate lyase variants NOVOZYMES A/S (DK) 2015-04-14 US disclosed
EP-1433839-B2 Optimised wash and cleaning compositions for an improved bleaching effect at low temperatures DALLI WERKE GMBH & CO KG (DE) 2015-04-01 EP disclosed
US-20140005093-A1 Pectate Lyase Variants NOVOZYMES A/S (DK) 2014-01-02 US disclosed
US-8563290-B2 Pectate lyase variants NOVOZYMES A/S (DK) 2013-10-22 US 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-20130012424-A1 Pectate Lyase Variants NOVOZYMES A/S (DK) 2013-01-10 US disclosed
US-8288144-B2 Mutants with improved detergent stability; use in the textile, detergent and cellulose fiber processing industries NOVOZYMES A/S (DK) 2012-10-16 US disclosed
EP-0118191-A1 Laundry additive compositions THE PROCTER & GAMBLE COMPANY (US) 1984-09-12 EP disclosed
US-4448699-A PROTECTION TO MACHINE ENAMEL COATED SURFACES THE PROCTER & GAMBLE COMPANY (US) 1984-05-15 US disclosed
EP-0098129-A1 Detergent additive product THE PROCTER & GAMBLE COMPANY (US) 1984-01-11 EP disclosed
EP-0095904-A1 Detergent liquors and compositions for use therein THE PROCTER & GAMBLE COMPANY (US) 1983-12-07 EP 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
EP-0085448-A1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1983-08-10 EP 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
US-4264466-A LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1981-04-28 US disclosed