SCHEMBL6949662

SCHEMBL6949662

c1ccc(CCOc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 2/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 2/20 0.48
FFAR1 O14842 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
HPGD P15428 1/20 0.40
GAA P10253 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
SCHEMBL6962103 0.92 FFAR1 (0.48) GP6NPC1RAB9AFFAR1HPGD
SCHEMBL6956913 0.91 NAAA (0.48) GP6FFAR1HPGD
SCHEMBL6961775 0.91 NAAA (0.48) GP6FFAR1HPGD
SCHEMBL6957526 0.85 PRMT5 (0.51) NPC1RAB9AMAOAMAOBGAA
SCHEMBL6961454 0.85 GP6 (0.49) GP6NPC1RAB9ALTA4HFFAR1
SCHEMBL6957069 0.83 MAOA (0.39) FFAR1MAOAMAOB
SCHEMBL6962342 0.80 MAOB (0.43) NPC1RAB9AMAOAMAOB
SCHEMBL1249467 0.80 GSTP1 (0.51) NPC1RAB9AFFAR1HPGDGAA
SCHEMBL8381011 0.80 GP6 (0.35) GP6NPC1RAB9ALTA4HGAA
SCHEMBL6954855 0.79 CYP2D6 (0.56) NPC1RAB9AHPGDGAA

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