SCHEMBL8568952

SCHEMBL8568952

Nc1nccc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
HPGD P15428 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
NSD2 O96028 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 2/20 0.46
CYP2D6 P10635 1/20 0.46
OPRK1 P41145 1/20 0.46
MAPK8 P45983 1/20 0.45
ATM Q13315 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL8561698 0.82 NSD2 (0.50) HTTHPGDCYP3A4CYP1A2CYP2C19
SCHEMBL8562600 0.81 LMNA (0.47) HTTHPGDMAPK1KMT2AMAPT
SCHEMBL8565008 0.80 HPGD (0.54) HTTHPGDCYP3A4CYP1A2CYP2C19
SCHEMBL8599108 0.79 SMN1; SMN2 (0.43) HTTHPGDCYP3A4CYP1A2CYP2C19
SCHEMBL8567191 0.78 NAPRT (0.50) HTTCYP3A4CYP1A2CYP2C19KMT2A
SCHEMBL8562423 0.78 RAB9A (0.52) HTTKMT2AMAPTEGLN1LMNA
SCHEMBL8565140 0.78 HTT (0.55) HTTHPGDCYP3A4CYP1A2CYP2C19
SCHEMBL922492 0.77 NSD2 (0.66) HPGDMAPK1NSD2KMT2AGAA
SCHEMBL8598538 0.77 NAAA (0.45) HTTHPGDLMNAL3MBTL1
SCHEMBL8921373 0.76 HTT (0.64) HTTHPGDCYP3A4CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed