SCHEMBL6957551

SCHEMBL6957551

CCCCCOc1cccc2oc(C#N)cc(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SIGMAR1 Q99720 5/20 0.40
GPR35 Q9HC97 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38

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 0.96 HPGD (0.44) HPGDCYP2A6ALDH1A1SIGMAR1GPR35
SCHEMBL6956209 0.87 HPGD (0.55) HPGDCYP2A6ALDH1A1GPR35LMNA
SCHEMBL6961672 0.80 ALDH1A1 (0.58) HPGDCYP2A6ALDH1A1LMNATDP1
SCHEMBL9847205 0.78 GPR35 (0.66) SIGMAR1GPR35LMNATDP1MAPT
SCHEMBL9847173 0.77 GPR35 (0.65) SIGMAR1GPR35LMNATDP1MAPT
SCHEMBL7897916 0.77 GPR35 (0.49) HPGDCYP2A6SIGMAR1GPR35LMNA
SCHEMBL9847108 0.77 GPR35 (0.65) SIGMAR1GPR35LMNATDP1MAPT
SCHEMBL13668750 0.76 ABCG2 (0.53) GPR35LMNATDP1MAPTNMT2
SCHEMBL7900661 0.74 GPR35 (0.46) HPGDSIGMAR1GPR35LMNATDP1
SCHEMBL9140082 0.73 ALDH1A1 (0.67) HPGDALDH1A1SIGMAR1MAPTMEN1

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