SCHEMBL6777905

SCHEMBL6777905

CC(=O)Nc1ccc(C)c(S(=O)(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.61
ALDH1A1 P00352 3/20 0.61
IDH1 O75874 3/20 0.53
PKM P14618 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.49
CDK1 P06493 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
CECR2 Q9BXF3 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL22843944 0.86 ALDH1A1 (0.61) ENPP2ALDH1A1IDH1PKMMAPT
SCHEMBL14502114 0.86 ALDH1A1 (0.76) ENPP2ALDH1A1PKMMAPTCDK1
SCHEMBL28553143 0.86 ALDH1A1 (0.76) ENPP2ALDH1A1IDH1PKMMAPT
Hydrochloric Acid SCHEMBL7531560 0.85 ALDH1A1 (0.73) ENPP2ALDH1A1PKMMAPTPOLB
SCHEMBL6771522 0.85 ALDH1A1 (0.59) ENPP2ALDH1A1IDH1PKMMAPT
SCHEMBL10582238 0.84 ENPP2 (0.50) ENPP2ALDH1A1IDH1PKMMAPT
SCHEMBL14667343 0.83 CNR2 (0.60) ENPP2ALDH1A1IDH1MAPTKDM4E
SCHEMBL9496107 0.81 ENPP2 (0.60) ENPP2ALDH1A1MAPTCDK1TDP1
SCHEMBL66550 0.81 ENPP2 (0.60) ENPP2ALDH1A1PKMMAPTCDK1
SCHEMBL341936 0.81 ENPP2 (0.60) ENPP2ALDH1A1MAPTCDK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed