SCHEMBL3710951

SCHEMBL3710951

Cc1nc(-c2ccc3c(c2)c([N+](=O)[O-])cn3C(C)C)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.56
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
TARBP2 Q15633 2/20 0.43
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3712007 0.91 XDH (0.61) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3711238 0.88 CDC7 (0.47) XDHRAB9AKDM4EGAATHRA
SCHEMBL3712098 0.87 RAB9A (0.58) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3703608 0.85 RAB9A (0.52) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3707571 0.84 RAB9A (0.55) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3712548 0.84 RAB9A (0.49) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3712106 0.83 XDH (0.60) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3718086 0.82 RAB9A (0.53) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3715772 0.81 XDH (0.49) XDHRAB9AKDM4EGAATHRA
SCHEMBL3706339 0.81 XDH (0.82) XDHRAB9AKDM4EGAATARBP2

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