SCHEMBL874463

SCHEMBL874463

CCNc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
CSNK2A2 P19784 2/20 0.49
CSNK2B P67870 2/20 0.49
CSNK2A1 P68400 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 2/20 0.46
PTPN11 Q06124 1/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.44
APP P05067 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8867718 0.79 RAB9A (1.00) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL874528 0.78 RAB9A (0.72) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL874100 0.77 RAB9A (0.64) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL874739 0.77 RAB9A (0.71) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL874565 0.74 PTPN1 (0.55) RAB9ACSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL2823686 0.72 RAB9A (0.70) RAB9AMEN1ALDH1A1KMT2APPARA
SCHEMBL883107 0.71 TRPM8 (0.49) MEN1ALDH1A1KMT2APPARAGAA
SCHEMBL17374873 0.71 RAB9A (0.55) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL874800 0.71 RAB9A (0.62) RAB9ACSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL15049277 0.70 GAA (0.58) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A

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