SCHEMBL7895465

SCHEMBL7895465

CC(C)n1cc(N)c2cc(-c3ncc(C(=O)O)s3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HCAR3 P49019 1/20 0.35
MMP12 P39900 1/20 0.35
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3705174 0.87 PPARG (0.42) XDHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7895901 0.86 CDC7 (0.52) XDHNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3703462 0.84 XDH (0.55) XDH
SCHEMBL3716982 0.83 THRA (0.43) XDHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7896260 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL7890950 0.78 XDH (0.45) XDHNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7894648 0.77 ICMT (0.45) XDH
SCHEMBL3703443 0.74 XDH (0.59) XDH
SCHEMBL7892923 0.74 KDM4C (0.42)
SCHEMBL3707163 0.73 CDC7 (0.52) XDHNPC1RAB9ASMN1; SMN2POLB

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 1 patent. 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 disclosed