SCHEMBL11722261

SCHEMBL11722261

Cc1ncc([N+](=O)[O-])cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
ALDH1A1 P00352 7/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL22165366 0.84 ALDH1A1 (0.40) ALDH1A1HTTMAPK1SMN1; SMN2TDP1
SCHEMBL28421614 0.79 ERN1 (0.46) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL29953130 0.79 ERN1 (0.54) ERN1ALDH1A1MAPTTDP1MEN1
SCHEMBL15335030 0.79 IDO1 (0.47) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL30517071 0.79 ERN1 (0.46) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL25257439 0.79 ERN1 (0.46) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL12328353 0.79 ERN1 (0.46) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL30203960 0.79 ERN1 (0.46) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL14140286 0.78 ERN1 (0.51) ERN1ALDH1A1HTTMAPTMAPK1
SCHEMBL28209177 0.78 ERN1 (0.42) ERN1ALDH1A1HTTMAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US disclosed