SCHEMBL7720120

SCHEMBL7720120

C=CS(=O)(=O)Cc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP19A1 P11511 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CCR2 P41597 6/20 0.39
PRMT1 Q99873 1/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
NAMPT P43490 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
SCHEMBL54603 0.87 CA2 (0.35) CYP19A1CA1CA2CA9CA12
SCHEMBL23779534 0.79 MAOB (0.52) MAOBMAOACYP19A1CA1CA2
SCHEMBL29634429 0.79 MAOB (0.52) MAOBMAOACYP19A1CA1CA2
SCHEMBL7721269 0.79 KMT2A (0.44) MAOBMAOAALDH1A1TDP1
SCHEMBL15567377 0.79 TAAR1 (0.43) MAOBMAOAALDH1A1HSD17B10LMNA
SCHEMBL589307 0.77 MAOB (0.50) MAOBMAOACYP19A1CA1CA2
SCHEMBL6401924 0.77 ALDH1A1 (0.53) MAOBMAOACYP19A1CA1CA2
SCHEMBL7716393 0.77 RECQL (0.42) MAOBMAOACA1CA2CA9
SCHEMBL2464599 0.77 CA1 (0.59) MAOBMAOACYP19A1CA1CA2
SCHEMBL30279898 0.77 MAOB (0.50) MAOBMAOACYP19A1CA1CA2

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 12 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
CN-1067419-C Reactive dyestuffs their preparation and their use BAYER AG (DE) 2001-06-20 CN disclosed
EP-0652262-B1 Reactive dyestuffs, their preparation and use BAYER AG (DE) 2000-07-12 EP 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
EP-0641838-B1 Reactive dye-stuffs on basis of a substituted barbituric acid BAYER AG (DE) 1999-11-10 EP disclosed
EP-0568876-B1 Reactive dyes, their preparation and their use BAYER AG (DE) 1996-08-28 EP disclosed
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
CN-1106845-A Reactive dyestuffs their preparation and their use BAYER AG (DE) 1995-08-16 CN disclosed
EP-0652262-A1 Reactive dyestuffs, their preparation and use BAYER AG (DE) 1995-05-10 EP disclosed
EP-0641838-A1 Reactive dye-stuffs on basis of a substituted barbituric acid BAYER AG (DE) 1995-03-08 EP disclosed
EP-0568876-A1 Reactive dyes, their preparation and their use BAYER AG (DE) 1993-11-10 EP disclosed
US-5166338-A Dioxazine or phthalocyanine dyes for wool or cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed