SCHEMBL6956207

SCHEMBL6956207

CCCCOc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.48
CYP2C19 P33261 8/20 0.48
CYP19A1 P11511 7/20 0.48
CYP2D6 P10635 9/20 0.47
CYP3A4 P08684 7/20 0.47
CYP1A2 P05177 6/20 0.47
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GP6 Q9HCN6 1/20 0.43
MAPT P10636 3/20 0.43
LTA4H P09960 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6952889 0.95 RAB9A (0.46) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6962608 0.89 MAPT (0.47) RAB9ALMNAHPGDSMN1; SMN2GP6
SCHEMBL6956235 0.86 GP6 (0.43) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6954855 0.86 CYP2D6 (0.56) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6960447 0.85 GP6 (0.43) CYP2C9CYP2C19CYP19A1RAB9ALMNA
SCHEMBL6953051 0.82 HSD11B1 (0.47) RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL4820028 0.82 CYP2D6 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6956902 0.82 CYP2D6 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL8959170 0.82 CYP2D6 (0.52) CYP2C9CYP2C19CYP19A1CYP2D6CYP3A4
SCHEMBL6957680 0.82 PDE5A (0.52) CYP2C9CYP2C19CYP19A1CYP1A2LMNA

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