SCHEMBL874462

SCHEMBL874462

CCNOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
CSNK2A2 P19784 3/20 0.47
CSNK2B P67870 3/20 0.47
CSNK2A1 P68400 3/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
XDH P47989 1/20 0.45
PTPN11 Q06124 2/20 0.42
MAPT P10636 4/20 0.41
HDAC1 Q13547 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 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
SCHEMBL27727745 0.85 XDH (0.51) CDC7DBF4CSNK2A2CSNK2BCSNK2A1
SCHEMBL2822552 0.84 CDC7 (0.68) CDC7DBF4CSNK2A2CSNK2BCSNK2A1
SCHEMBL877605 0.80 XDH (0.51) CDC7DBF4CSNK2A2CSNK2BCSNK2A1
SCHEMBL27935663 0.77 XDH (0.56) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
SCHEMBL3101178 0.73 HDAC1 (0.66) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
SCHEMBL26759059 0.72 XDH (0.56) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
SCHEMBL16799006 0.71 XDH (0.52) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
Hydrochloric Acid SCHEMBL28424163 0.71 XDH (0.55) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
SCHEMBL21229137 0.68 XDH (0.49) CSNK2A2CSNK2BCSNK2A1RAB9AGAA
SCHEMBL23794795 0.68 CDC7 (0.79) CDC7DBF4RAB9AMAPTMEN1

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed