SCHEMBL6956209

SCHEMBL6956209

CCOc1cccc2oc(C#N)cc(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
KDM4E B2RXH2 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
PABPC1 P11940 1/20 0.50
CYP2A6 P11509 2/20 0.47
GRK6 P43250 2/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 4/20 0.42
AR P10275 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL6962937 0.88 HPGD (0.44) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL6957551 0.87 HPGD (0.43) HPGDMEN1KMT2AMAPTTDP1
SCHEMBL6961672 0.84 ALDH1A1 (0.58) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL12325504 0.76 HPGD (0.56) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL15832516 0.75 GPR35 (0.72) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL9137293 0.75 ALDH1A1 (0.72) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL7899205 0.74 HPGD (0.54) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL11477162 0.73 GPR35 (0.40) HPGDMEN1KMT2ATDP1LMNA
SCHEMBL15842859 0.73 CYP2A6 (0.62) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL6956169 0.73 AR (0.61) HPGDKDM4EMEN1KMT2AMAPT

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