SCHEMBL6957658

SCHEMBL6957658

CCOc1cccc2oc(-c3nnn[nH]3)cc(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.43
AR P10275 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
PABPC1 P11940 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 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
SCHEMBL6960566 0.90 HPGD (0.46) HPGDKDM4EALDH1A1MAPTCYP3A4
SCHEMBL6955622 0.89 HPGD (0.45) HPGDKDM4EALDH1A1MAPTCYP3A4
SCHEMBL6952934 0.87 ALDH1A1 (0.59) HPGDKDM4EALDH1A1MAPTCYP3A4
SCHEMBL11773782 0.85 GPR35 (0.56) HPGDKDM4EALDH1A1MAPTCYP3A4
SCHEMBL11489129 0.80 GPR35 (0.53) HPGDKDM4EALDH1A1MAPTCYP3A4
SCHEMBL11477011 0.78 GPR35 (0.48) HPGDKDM4EALDH1A1CYP3A4AR
SCHEMBL6957856 0.78 AR (0.56) HPGDKDM4EALDH1A1MAPTCYP3A4
Cromitrile SCHEMBL11475038 0.77 GPR35 (0.46) HPGDKDM4EALDH1A1MAPTAR
SCHEMBL9137293 0.76 ALDH1A1 (0.72) HPGDKDM4EALDH1A1MAPTCYP3A4
Cromitrile SCHEMBL11480428 0.76 GPR35 (0.46) HPGDKDM4EALDH1A1MAPTAR

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