SCHEMBL11720643

SCHEMBL11720643

CNC(=O)c1ncc(C)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
MITF O75030 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNMA1 Q12791 1/20 0.38

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
SCHEMBL19172618 0.83 POLB (0.44) SMN1; SMN2POLBPKMALDH1A1MAPT
SCHEMBL23537652 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GPR35KDM4EPOLBPKM
SCHEMBL24993698 0.76 NOS3 (0.41) SMN1; SMN2KDM4EPOLBALDH1A1MAPT
SCHEMBL25336188 0.75 ALDH1A1 (0.44) SMN1; SMN2GPR35KDM4EALDH1A1GAA
SCHEMBL27398497 0.73 NPC1 (0.38) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL2267794 0.73 POLB (0.51) SMN1; SMN2GPR35KDM4EPOLBPKM
SCHEMBL1231901 0.73 ALDH1A1 (0.51) SMN1; SMN2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL131620 0.73 GPR35 (0.57) SMN1; SMN2GPR35KDM4EPOLBPKM
SCHEMBL31215172 0.73 GPR35 (0.57) SMN1; SMN2GPR35KDM4EPOLBPKM
SCHEMBL761929 0.72 SMN1; SMN2 (0.57) SMN1; SMN2GPR35KDM4EPOLBALDH1A1

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