SCHEMBL3712007

SCHEMBL3712007

CCC(C)n1cc([N+](=O)[O-])c2cc(-c3nc(C)c(C(=O)O)s3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.61
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TARBP2 Q15633 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
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
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3710951 0.91 XDH (0.56) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3715772 0.90 XDH (0.49) XDHRAB9AKDM4EGAATHRB
SCHEMBL3707571 0.85 RAB9A (0.55) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3703608 0.85 RAB9A (0.52) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3712098 0.84 RAB9A (0.58) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3711238 0.83 CDC7 (0.47) XDHRAB9AKDM4EGAATHRB
SCHEMBL3705841 0.83 XDH (0.86) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3718086 0.80 RAB9A (0.53) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3715308 0.80 XDH (0.64) XDHRAB9AKDM4EGAATARBP2
SCHEMBL3710271 0.80 RAB9A (0.50) 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 3 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
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