SCHEMBL6961386

SCHEMBL6961386

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 14/20 0.67
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.88 GPR35 (0.52) GPR35HPGDCYSLTR2CYSLTR1TSHR
SCHEMBL6957556 0.88 GPR35 (0.52) GPR35HPGDCYSLTR2CYSLTR1TSHR
SCHEMBL6960093 0.86 GPR35 (0.64) GPR35HPGDLMNAHTTRAB9A
SCHEMBL6953595 0.83 GPR35 (0.56) GPR35MAPTHPGDHTTRAB9A
SCHEMBL6953970 0.81 GPR35 (0.68) GPR35LMNAHTTRAB9AGPR55
SCHEMBL7889278 0.80 GPR35 (0.53) GPR35CYSLTR2CYSLTR1RAB9A
SCHEMBL6955419 0.80 GPR35 (0.53) GPR35CYSLTR2CYSLTR1RAB9A
SCHEMBL6956923 0.80 GPR35 (0.61) GPR35CYSLTR2CYSLTR1RAB9A
SCHEMBL9034171 0.79 SMN1; SMN2 (0.47) GPR35HPGDLMNARAB9ATSHR
SCHEMBL6958160 0.79 GPR35 (0.68) 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