SCHEMBL6961111

SCHEMBL6961111

CCC(=O)Nc1cccc2c(=O)cc(C(=N)NN)oc12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 16/20 0.73
RECQL P46063 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6952499 0.88 GPR35 (0.57) GPR35CYSLTR2CYSLTR1ALDH1A1
SCHEMBL6951328 0.88 GPR35 (0.57) GPR35CYSLTR2CYSLTR1ALDH1A1
SCHEMBL6956309 0.87 GPR35 (0.71) GPR35RECQLCYSLTR2CYSLTR1ALDH1A1
SCHEMBL6958010 0.85 GPR35 (0.60) GPR35CYSLTR2CYSLTR1ALDH1A1GPR55
SCHEMBL7896969 0.84 GPR35 (0.76) GPR35RECQLCYSLTR2CYSLTR1ALDH1A1
SCHEMBL6951132 0.82 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6956919 0.82 GPR35 (0.57) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL7896951 0.82 GPR35 (0.74) GPR35ALDH1A1GPR55
SCHEMBL6961849 0.81 GPR35 (0.66) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6961588 0.80 GPR35 (0.73) GPR35CYSLTR2CYSLTR1

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