SCHEMBL7717680

SCHEMBL7717680

C=Cc1cc(N)ccc1OC.O=[SH2]=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.40
TRPA1 O75762 1/20 0.39
LCK P06239 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
NQO2 P16083 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14609038 0.93 CYP19A1 (0.47) CYP19A1ALDH1A1KDM4EUSP2MAPT
SCHEMBL29064176 0.78 MAPT (0.50) CYP19A1ALDH1A1KDM4EUSP2MAPT
SCHEMBL5883440 0.78 ALDH1A1 (0.55) CYP19A1ALDH1A1KDM4EUSP2MAPT
SCHEMBL14218923 0.74 MAPT (0.54) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL1272528 0.74 ALDH1A1 (0.39) CYP19A1ALDH1A1KDM4EUSP2MAPT
SCHEMBL26185782 0.72 TRPA1 (0.58) CYP19A1ALDH1A1MAPTTSHRTRPA1
SCHEMBL4211349 0.72 ACHE (0.56) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL1792533 0.72 CYP1A1 (0.61) CYP19A1ALDH1A1MAPTCA1CA2
SCHEMBL16824962 0.71 MAPT (0.47) CYP19A1ALDH1A1KDM4EUSP2MAPT
SCHEMBL3951418 0.71 GABRA1 (0.56) ALDH1A1KDM4EUSP2MAPTGAA

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 8 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-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5319074-A Colorfast dyes for cellulose and polyamides BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5278293-A Aromatic amide-alkylenesulfonic acid fiber-reactive dyes BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5274083-A A 2-halopyrimidinylaminoalkylamino-4-chloro-6-sulfonyl-substituted chromophore group-s-triazine BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
US-4839469-A WET- AND LIGHT-FAST BLUE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
US-4649193-A COTTON, WOOL, POLYAMIDES; COLOR-AND WASH FASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-10 US disclosed