SCHEMBL6955622

SCHEMBL6955622

CCCCCOc1cccc2oc(-c3nnn[nH]3)cc(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
SIGMAR1 Q99720 5/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AR P10275 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL6960566 0.97 HPGD (0.46) HPGDSIGMAR1KDM4EALDH1A1AR
SCHEMBL6957658 0.89 HPGD (0.57) HPGDKDM4EALDH1A1ARTP53
SCHEMBL6952934 0.83 ALDH1A1 (0.59) HPGDKDM4EALDH1A1ARTP53
SCHEMBL11773782 0.82 GPR35 (0.56) HPGDSIGMAR1KDM4EALDH1A1AR
SCHEMBL11489129 0.77 GPR35 (0.53) HPGDSIGMAR1KDM4EALDH1A1AR
SCHEMBL8225608 0.76 KMT2A (0.42) CYP3A4MAPTLMNA
SCHEMBL9140082 0.75 ALDH1A1 (0.67) HPGDSIGMAR1KDM4EALDH1A1AR
SCHEMBL11477011 0.75 GPR35 (0.48) HPGDKDM4EALDH1A1ARTP53
SCHEMBL6957856 0.74 AR (0.56) HPGDKDM4EALDH1A1ARTP53
SCHEMBL16160522 0.74 MAOB (0.60) HPGDSIGMAR1KDM4EALDH1A1AR

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