SCHEMBL3710271

SCHEMBL3710271

Cc1nc(-c2ccc3c(c2)c([N+](=O)[O-])cn3CC2CC2)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
XDH P47989 4/20 0.47
THRB P10828 4/20 0.45
THRA P10827 3/20 0.45
ICMT O60725 3/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL3714294 0.90 CDC7 (0.45) RAB9AXDHTHRBTHRAICMT
SCHEMBL3707571 0.88 RAB9A (0.55) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3703608 0.85 RAB9A (0.52) RAB9AXDHTHRBTHRAICMT
SCHEMBL3718086 0.84 RAB9A (0.53) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3715308 0.84 XDH (0.64) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3712098 0.83 RAB9A (0.58) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3713673 0.83 XDH (0.67) XDH
SCHEMBL3713653 0.81 RAB9A (0.49) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3710951 0.80 XDH (0.56) RAB9AXDHTHRBTHRAKDM4E
SCHEMBL3712007 0.80 XDH (0.61) RAB9AXDHTHRBTHRAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO claimed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed