SCHEMBL6957329

SCHEMBL6957329

COc1ccc(C(=O)Nc2cccc3c(=O)cc(C#N)oc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 15/20 0.70
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR55 Q9Y2T6 2/20 0.53
F10 P00742 1/20 0.51
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL6956923 0.89 GPR35 (0.61) GPR35NPC1RAB9AKMT2ACYSLTR2
SCHEMBL6956784 0.89 GPR35 (0.58) GPR35GPR55CYSLTR2CYSLTR1
SCHEMBL6961887 0.89 GPR35 (0.56) GPR35GPR55CYSLTR2CYSLTR1
SCHEMBL6958160 0.88 GPR35 (0.68) GPR35CYSLTR2CYSLTR1
SCHEMBL6955563 0.87 GPR35 (0.73) GPR35CYSLTR2CYSLTR1
SCHEMBL6953970 0.87 GPR35 (0.68) GPR35NPC1RAB9AGPR55
SCHEMBL6961112 0.85 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1
SCHEMBL28891400 0.85 GPR35 (0.65) GPR35CYSLTR2CYSLTR1
SCHEMBL6951840 0.85 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1
SCHEMBL4252575 0.82 CYSLTR2 (0.68) GPR35GPR55CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed