SCHEMBL8561998

SCHEMBL8561998

O=C(NCc1ccccc1)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.60
HTT P42858 1/20 0.58
MAPK8 P45983 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 4/20 0.54
EGLN1 Q9GZT9 1/20 0.54
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADORA2A P29274 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 2/20 0.50
SGMS2 Q8NHU3 1/20 0.50
MAPT P10636 1/20 0.50

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 0.83 NSD2 (0.50) NSD2HTTMAPK8ATMKMT2A
SCHEMBL8566566 0.80 CYP1A2 (0.52) NSD2HTTKMT2AHPGDCYP1A2
SCHEMBL8564375 0.79 KMT2A (0.46) HTTKMT2ALMNAL3MBTL1MEN1
SCHEMBL19246188 0.79 KMT2A (0.75) HTTKMT2AHPGDCYP1A2CYP3A4
SCHEMBL30236290 0.79 KMT2A (0.75) HTTKMT2AHPGDCYP1A2CYP3A4
SCHEMBL3182140 0.79 NSD2 (0.68) NSD2MAPK8ATMKMT2AEGLN1
SCHEMBL8600033 0.78 HPGD (0.50) HTTKMT2AHPGDCYP1A2CYP3A4
SCHEMBL8563502 0.78 HTT (0.58) NSD2HTTMAPK8KMT2AHPGD
SCHEMBL31569526 0.77 NSD2 (0.66) NSD2MAPK8ATMKMT2AEGLN1
SCHEMBL12142857 0.77 NSD2 (0.66) NSD2MAPK8ATMKMT2AEGLN1

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed