SCHEMBL6961672

SCHEMBL6961672

COc1cccc2oc(C#N)cc(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 5/20 0.57
AR P10275 3/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLH Q9Y253 1/20 0.49
MAOA P21397 3/20 0.48

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
SCHEMBL6956209 0.84 HPGD (0.55) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL6962937 0.81 HPGD (0.44) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL6957551 0.80 HPGD (0.43) ALDH1A1MAPTHPGDLMNATDP1
SCHEMBL5584528 0.80 CYP2A6 (0.50) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL9976085 0.78 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL6956169 0.76 AR (0.61) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL16632984 0.74 CYP2A6 (0.45) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL12324855 0.73 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL30506423 0.73 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EARHPGD
SCHEMBL1676007 0.73 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EARHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7304773-A None JP disclosed
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
JP-H07304773-A PRODUCTION OF TETRAZOLE COMPOUND SUMITOMO CHEM CO LTD 1995-11-21 JP disclosed