SCHEMBL3713653

SCHEMBL3713653

Cc1nc(-c2ccc3c(c2)c([N+](=O)[O-])cn3C2CCOCC2)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
THRB P10828 4/20 0.44
THRA P10827 3/20 0.44
XDH P47989 4/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3718086 0.94 RAB9A (0.53) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL7884452 0.86 XDH (0.45) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3708281 0.84 XDH (0.60) XDH
SCHEMBL3705195 0.83 CDC7 (0.46) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL3712098 0.82 RAB9A (0.58) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL3707373 0.81 RAB9A (0.46) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3710271 0.81 RAB9A (0.50) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL3710951 0.79 XDH (0.56) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL3707571 0.79 RAB9A (0.55) RAB9ATHRBTHRAXDHKDM4E
SCHEMBL3714301 0.78 RAB9A (0.50) RAB9AXDHKDM4EGAASMN1; 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