SCHEMBL6953595

SCHEMBL6953595

N#Cc1cc(=O)c2cccc(NC(=O)CCc3ccccc3)c2o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.56
POLB P06746 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7889278 0.93 GPR35 (0.53) GPR35RAB9ANPC1MEN1KMT2A
SCHEMBL6955419 0.93 GPR35 (0.53) GPR35RAB9ANPC1MEN1KMT2A
SCHEMBL6961386 0.83 GPR35 (0.67) GPR35RAB9AHPGDMAPTGPR55
SCHEMBL6957556 0.83 GPR35 (0.52) GPR35SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6955833 0.83 GPR35 (0.52) GPR35SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6953970 0.81 GPR35 (0.68) GPR35RAB9ANPC1GPR55HTT
SCHEMBL7897075 0.80 GPR35 (0.62) GPR35POLBRAB9ASMN1; SMN2NPC1
SCHEMBL6960093 0.79 GPR35 (0.64) GPR35RAB9AKDM4EALDH1A1HPGD
SCHEMBL4252575 0.79 CYSLTR2 (0.68) GPR35GPR55
SCHEMBL6958010 0.79 GPR35 (0.60) GPR35POLBRAB9ASMN1; SMN2NPC1

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-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