SCHEMBL3715308

SCHEMBL3715308

COCCn1cc([N+](=O)[O-])c2cc(-c3nc(C)c(C(=O)O)s3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.64
RAB9A P51151 3/20 0.50
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
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
TARBP2 Q15633 2/20 0.40
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
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
SCHEMBL3709851 0.90 XDH (0.53) XDHRAB9AKDM4EGAAPOLB
SCHEMBL3707571 0.88 RAB9A (0.55) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3703608 0.85 RAB9A (0.52) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3712098 0.85 RAB9A (0.58) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3710271 0.84 RAB9A (0.50) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL3707464 0.83 XDH (0.90) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3710951 0.80 XDH (0.56) XDHRAB9AKDM4EGAASMN1; SMN2
SCHEMBL7885568 0.80 XDH (0.43) XDHRAB9ATHRBTHRA
SCHEMBL3708174 0.80 CDC7 (0.49) XDHRAB9AKDM4EGAAPOLB
SCHEMBL3712007 0.80 XDH (0.61) XDHRAB9AKDM4EGAASMN1; SMN2

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