SCHEMBL6957556

SCHEMBL6957556

CCCCCCCCC(=O)Nc1cccc2c(=O)cc(C#N)oc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.52
TSHR P16473 2/20 0.49
EP300 Q09472 1/20 0.47
CETP P11597 1/20 0.46
SOAT1 P35610 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYSLTR2 Q9NS75 8/20 0.43
CYSLTR1 Q9Y271 8/20 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
SCHEMBL6955833 1.00 GPR35 (0.52) GPR35TSHREP300CETPSOAT1
SCHEMBL9034171 0.91 SMN1; SMN2 (0.47) GPR35TSHREP300CETPSOAT1
SCHEMBL6961386 0.88 GPR35 (0.67) GPR35TSHRHPGDCYSLTR2CYSLTR1
SCHEMBL7889278 0.86 GPR35 (0.53) GPR35CYSLTR2CYSLTR1
SCHEMBL6955419 0.86 GPR35 (0.53) GPR35CYSLTR2CYSLTR1
SCHEMBL6953595 0.83 GPR35 (0.56) GPR35KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6960093 0.81 GPR35 (0.64) GPR35KDM4EALDH1A1GLAGAA
SCHEMBL6961112 0.80 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1
SCHEMBL6951840 0.80 CYSLTR2 (0.65) GPR35CYSLTR2CYSLTR1
SCHEMBL7898198 0.80 GPR35 (0.59) GPR35EP300CETPSOAT1KDM4E

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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed