SCHEMBL6961849

SCHEMBL6961849

CCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=N)NN)oc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.66
CYSLTR2 Q9NS75 8/20 0.55
CYSLTR1 Q9Y271 8/20 0.55
GPR55 Q9Y2T6 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6961588 0.94 GPR35 (0.73) GPR35CYSLTR2CYSLTR1
SCHEMBL6960552 0.93 GPR35 (0.78) GPR35CYSLTR2CYSLTR1
SCHEMBL6960445 0.91 GPR35 (0.70) GPR35CYSLTR2CYSLTR1
SCHEMBL6951044 0.91 GPR35 (0.70) GPR35CYSLTR2CYSLTR1
SCHEMBL6953450 0.89 GPR35 (0.76) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6955023 0.88 GPR35 (0.62) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6961252 0.87 GPR35 (0.61) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6952491 0.87 CYSLTR2 (0.67) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL7896381 0.87 GPR35 (0.68) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL6962630 0.86 CYSLTR2 (0.66) GPR35CYSLTR2CYSLTR1GPR55

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 4 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
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed