SCHEMBL7717686

SCHEMBL7717686

COc1cc(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(OC)c(S(=O)(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
PHLPP2 Q6ZVD8 2/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
BLM P54132 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX12 P18054 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL7718727 0.91 THRB (0.41) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL7717673 0.89 KDM4E (0.50) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL8432616 0.81 ENPP2 (0.45) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL7712999 0.80 THRB (0.44) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL9749730 0.78 THRB (0.41) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL13743964 0.77 BRD4 (0.44) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL14388913 0.77 THRB (0.39) THRBPTGS2PTGS1PHLPP2MEN1
SCHEMBL14388748 0.76 THRB (0.62) THRBPHLPP2MEN1ALDH1A1MAPT
SCHEMBL14388838 0.76 THRB (0.62) THRBPHLPP2MEN1ALDH1A1MAPT
SCHEMBL14388756 0.75 THRB (0.36) THRBPTGS2PTGS1PHLPP2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376656-B1 DISAZO DYES, TRIAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-23 US disclosed
US-6025478-A HIGH REACTIVITY AND FIXING CAPACITY, GOOD LOW TEMPERATURE DYEING, GOOD COLOR INTENSITY, LIGHTFASTNESS, WASHFASTNESS BAYER AG (DE) 2000-02-15 US disclosed
US-5686642-A Compounds useful for the preparation of bi-and polyfunctional reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed
US-5597902-A MONOAZO DYES, DISAZO DYES, NAPHTHOL DYES AND TRIAZO DYES FOR SILK, WOOL, LEATHER AND POLYAMIDES OR CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed