SCHEMBL6958010

SCHEMBL6958010

N=C(NN)c1cc(=O)c2cccc(NC(=O)CCc3ccccc3)c2o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 13/20 0.60
GPR55 Q9Y2T6 1/20 0.46
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 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
SCHEMBL6956919 0.93 GPR35 (0.57) GPR35GPR55CYSLTR2CYSLTR1
SCHEMBL6951132 0.93 GPR35 (0.57) GPR35GPR55CYSLTR2CYSLTR1
SCHEMBL9035007 0.86 GPR35 (0.49) GPR35POLBNPC1RAB9ASMN1; SMN2
SCHEMBL7897075 0.85 GPR35 (0.62) GPR35GPR55POLBNPC1RAB9A
SCHEMBL6961111 0.85 GPR35 (0.73) GPR35GPR55CYSLTR2CYSLTR1ALDH1A1
SCHEMBL6952499 0.84 GPR35 (0.57) GPR35SMN1; SMN2CYSLTR2CYSLTR1KDM4E
SCHEMBL6951328 0.84 GPR35 (0.57) GPR35SMN1; SMN2CYSLTR2CYSLTR1KDM4E
SCHEMBL7896951 0.83 GPR35 (0.74) GPR35GPR55NPC1RAB9AALDH1A1
SCHEMBL8106887 0.82 GPR35 (0.64) GPR35GPR55POLBNPC1RAB9A
SCHEMBL6956309 0.81 GPR35 (0.71) GPR35GPR55POLBNPC1CYSLTR2

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