SCHEMBL3703608

SCHEMBL3703608

Cc1nc(-c2ccc3c(c2)c([N+](=O)[O-])cn3CC(C)C)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
XDH P47989 7/20 0.51
TARBP2 Q15633 2/20 0.46
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
BLVRB P30043 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
ICMT O60725 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
SCHEMBL3707571 0.89 RAB9A (0.55) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3706727 0.89 CDC7 (0.46) RAB9AXDHKDM4EGAATHRA
SCHEMBL3710951 0.85 XDH (0.56) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3715308 0.85 XDH (0.64) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3710271 0.85 RAB9A (0.50) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3712007 0.85 XDH (0.61) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3706062 0.84 XDH (0.55) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3712098 0.84 RAB9A (0.58) RAB9AXDHTARBP2ABCC4ABCB11
SCHEMBL3703625 0.82 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3718086 0.80 RAB9A (0.53) RAB9AXDHTARBP2KDM4EGAA

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