SCHEMBL6959658

SCHEMBL6959658

O=C(Nc1ccc2oc(-c3nnn[nH]3)cc(=O)c2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
JAK1 P23458 1/20 0.45
CA9 Q16790 1/20 0.45
RUVBL1 Q9Y265 1/20 0.44
MAOB P27338 3/20 0.44
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
PSMB8 P28062 1/20 0.42
SNCA P37840 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL6953660 0.87 MAPT (0.48) RUVBL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6961802 0.86 THRB (0.47) RUVBL1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6962430 0.85 RUVBL1 (0.42) RUVBL1ALDH1A1KDM4ESNCANPC1
SCHEMBL6950746 0.85 POLB (0.51) RUVBL1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6963067 0.85 CSNK2A2 (0.53) CA9MAOBALDH1A1KDM4EHPGD
SCHEMBL6956086 0.85 RUVBL1 (0.67) RUVBL1MAPT
SCHEMBL6962842 0.84 RUVBL1 (0.66) RUVBL1
SCHEMBL6961590 0.83 RUVBL1 (0.50) RUVBL1MAPTPOLB
SCHEMBL6957932 0.83 CYSLTR2 (0.51) RUVBL1KDM4ESMN1; SMN2LMNARAB9A
SCHEMBL6961859 0.83 RUVBL1 (0.49) RUVBL1ALDH1A1KDM4ESMN1; SMN2HSD17B10

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