SCHEMBL7717673

SCHEMBL7717673

COc1cc(N=Nc2cccc(S(=O)(=O)CCOS(=O)(=O)O)c2)c(OC)c(S(=O)(=O)O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
SENP2 Q9HC62 5/20 0.39
SENP1 Q9P0U3 5/20 0.39
SENP3 Q9H4L4 3/20 0.39
SUMO2 P61956 3/20 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
SCHEMBL7717686 0.89 THRB (0.41) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL7717688 0.82 MEN1 (0.44) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL7718727 0.80 THRB (0.41) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL18684939 0.77 THRB (0.53) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL7717676 0.75 SENP2 (0.43) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL18684931 0.74 THRB (0.54) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL18684927 0.74 THRB (0.54) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL7718129 0.74 SENP2 (0.46) MAPTMAPK1KMT2AGAASENP2
SCHEMBL14271163 0.74 CA12 (0.38) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL9750184 0.73 SENP2 (0.43) KDM4EMEN1ALDH1A1CYP3A4MAPT

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