SCHEMBL6963004

SCHEMBL6963004

c1ccc(CCc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
KCNH2 Q12809 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PDE10A Q9Y233 1/20 0.37
GP6 Q9HCN6 1/20 0.36
FFAR1 O14842 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BACE1 P56817 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AGXT P21549 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
DAO P14920 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL6957851 0.94 IGF1R (0.39) MAOAMAOBHRH3DAO
SCHEMBL6952118 0.92 IGF1R (0.38) MAOAMAOBHRH3
SCHEMBL6954931 0.92 IGF1R (0.38) MAOAMAOBHRH3
SCHEMBL6958334 0.87 HRH3 (0.41) HRH3NPC1RAB9AL3MBTL1AGXT
SCHEMBL27476302 0.86 TDP1 (0.37) TDP1
SCHEMBL6961992 0.86 CTSS (0.42) BACE1NPC1RAB9A
SCHEMBL6957069 0.85 MAOA (0.39) MAOAMAOBKCNH2PDE10AFFAR1
SCHEMBL6952046 0.83 HSD11B1 (0.39) NPC1RAB9AL3MBTL1TDP1
SCHEMBL2056403 0.82 NOTUM (0.47)
SCHEMBL7810819 0.82 CDK8 (0.41)

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