SCHEMBL2718014

SCHEMBL2718014

COc1cccc(CS(=O)(=O)Cc2cccc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
CMA1 P23946 1/20 0.54
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
AOC3 Q16853 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL18602238 0.93 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL6011474 0.87 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL15876075 0.87 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL28142535 0.87 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL2934451 0.85 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL2932625 0.85 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL3588710 0.85 TAAR1 (0.56) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL9421746 0.85 FAAH (0.52) TAAR1IDO1AGXTCMA1CHRM2
SCHEMBL2932622 0.85 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CHRM2
Hydrochloric Acid SCHEMBL20502480 0.84 IDO1 (0.57) TAAR1IDO1AGXTCMA1CHRM2

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
CN-102196913-B A lithographic printing plate AGFA GRAPHICS NV 2012-12-12 CN disclosed
EP-2186637-B1 A lithographic printing plate AGFA GRAPHICS NV (BE) 2012-05-02 EP disclosed
US-20110315034-A1 LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2011-12-29 US disclosed
CN-102196913-A A lithographic printing plate AGFA GRAPHICS NV 2011-09-21 CN disclosed
EP-2186637-A1 A lithographic printing plate Agfa Graphics N.V. (BE) 2010-05-19 EP disclosed
CN-1332944-C Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2007-08-22 CN disclosed
CN-1651408-A Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2005-08-10 CN disclosed
EP-0765339-B1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-01-27 EP disclosed