SCHEMBL6960926

SCHEMBL6960926

CCCCCCCCC(=O)Nc1ccc2oc(-c3nnn[nH]3)cc(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAOB P27338 6/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6953210 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6954703 0.88 PDE10A (0.42) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6956470 0.87 MAOB (0.49) SMN1; SMN2NPC1RAB9AMAOBHDAC3
SCHEMBL6957127 0.87 MAOB (0.49) SMN1; SMN2NPC1RAB9AMAOBHDAC3
SCHEMBL6963067 0.83 CSNK2A2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6955693 0.83 CYSLTR2 (0.53) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL6960379 0.83 CYSLTR2 (0.53) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL6957932 0.81 CYSLTR2 (0.51) SMN1; SMN2RAB9AKDM4ELMNA
SCHEMBL6963095 0.81 CYSLTR2 (0.52)
SCHEMBL6955330 0.81 CYSLTR2 (0.52)

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