SCHEMBL6954192

SCHEMBL6954192

O=c1cc(-c2nnn[nH]2)oc2cc(O)cc(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
CYP3A4 P08684 6/20 0.55
MAPT P10636 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
TP53 P04637 5/20 0.55
CYP2D6 P10635 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
ABCB1 P08183 5/20 0.55
POLH Q9Y253 5/20 0.55
MAOA P21397 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 4/20 0.55
FTO Q9C0B1 4/20 0.55
CYP1A1 P04798 4/20 0.55
CYP1A2 P05177 4/20 0.55
AKR1B1 P15121 4/20 0.55
MAOB P27338 4/20 0.55

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
SCHEMBL6957856 0.84 AR (0.56) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL22738310 0.79 MEN1 (0.75) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL6961122 0.78 HPGD (0.57) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL14134581 0.75 MEN1 (0.69) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL32679657 0.73 MEN1 (0.82) MEN1KMT2ACYP3A4MAPTALDH1A1
Tricetin SCHEMBL158384 0.71 MEN1 (1.00) MEN1KMT2ACYP3A4MAPTALDH1A1
Apigenin SCHEMBL19428 0.71 KMT2A (1.00) MEN1KMT2ACYP3A4MAPTALDH1A1
Apigenin SCHEMBL29351464 0.71 KMT2A (1.00) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL14464104 0.71 BACE1 (0.77) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL29424233 0.71 BACE1 (0.77) MEN1KMT2ACYP3A4MAPTALDH1A1

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