SCHEMBL7899223

SCHEMBL7899223

CCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(N)=S)oc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.76
CYSLTR2 Q9NS75 10/20 0.63
CYSLTR1 Q9Y271 10/20 0.63
GPR55 Q9Y2T6 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
PGR P06401 1/20 0.52
HTR1A P08908 1/20 0.52
AR P10275 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
ADORA1 P30542 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GPR17 Q13304 1/20 0.52

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
SCHEMBL7889272 0.97 GPR35 (0.72) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7896327 0.97 GPR35 (0.72) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7896992 0.97 GPR35 (0.81) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL7896381 0.93 GPR35 (0.68) GPR35CYSLTR2CYSLTR1GPR55
SCHEMBL28415802 0.90 GPR35 (0.75) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL6956128 0.89 CYSLTR2 (0.66) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL7889217 0.88 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL7897814 0.88 GPR35 (0.79) GPR35GPR55
SCHEMBL7897825 0.88 GPR35 (0.64) GPR35CYSLTR2CYSLTR1GPR55ABCC4
SCHEMBL6961588 0.87 GPR35 (0.73) GPR35CYSLTR2CYSLTR1ABCC4ABCB11

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
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