SCHEMBL6962937

SCHEMBL6962937

CCCCOc1cccc2oc(C#N)cc(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR35 Q9HC97 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
SIGMAR1 Q99720 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 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
SCHEMBL6957551 0.96 HPGD (0.43) HPGDCDC25ACDC25BCDC25CCYP2A6
SCHEMBL6956209 0.88 HPGD (0.55) HPGDCYP2A6ALDH1A1L3MBTL1GPR35
SCHEMBL6961672 0.81 ALDH1A1 (0.58) HPGDCYP2A6ALDH1A1TDP1LMNA
SCHEMBL9847132 0.77 GPR35 (0.67) HPGDALDH1A1GPR35TDP1LMNA
SCHEMBL9140082 0.77 ALDH1A1 (0.67) HPGDALDH1A1MAPTSIGMAR1MEN1
SCHEMBL16160522 0.76 MAOB (0.60) HPGDALDH1A1L3MBTL1MAPTSIGMAR1
SCHEMBL7896333 0.76 GPR35 (0.50) HPGDCYP2A6ALDH1A1TSHRL3MBTL1
SCHEMBL15630238 0.74 HPGD (0.61) HPGDALDH1A1TSHRTDP1LMNA
SCHEMBL9847205 0.73 GPR35 (0.66) GPR35TDP1LMNAMAPTSIGMAR1
SCHEMBL6957427 0.73 GPR35 (0.47) HPGDTSHRGPR35TDP1LMNA

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