SCHEMBL874739

SCHEMBL874739

Nc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
CSNK2A2 P19784 2/20 0.46

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
SCHEMBL874528 0.84 RAB9A (0.72) RAB9AGAAMGAMSIMGAM2
SCHEMBL8867718 0.83 RAB9A (1.00) RAB9AGAASMN1; SMN2MAPTMEN1
SCHEMBL27479142 0.83 CCNA2 (0.55) RAB9AGAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL27996903 0.78 KDM4E (0.49) RAB9AGAASMN1; SMN2MAPTAPP
SCHEMBL11280392 0.77 MAPT (0.67) RAB9AGAAMGAMSIMGAM2
SCHEMBL874463 0.77 RAB9A (0.65) RAB9AGAAMGAMSIMGAM2
SCHEMBL874800 0.77 RAB9A (0.62) RAB9AGAAMGAMSIMGAM2
SCHEMBL5192459 0.77 PTGDR2 (0.53) RAB9AGAASMN1; SMN2MAPTALDH1A1
SCHEMBL874100 0.76 RAB9A (0.64) RAB9AGAASMN1; SMN2MAPTMEN1
SCHEMBL874904 0.74 RAB9A (0.58) RAB9AGAAMGAMSIMGAM2

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