SCHEMBL8559950

SCHEMBL8559950

Nc1cnc([N+](=O)[O-])c(C(=O)Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 2/20 0.35
PLAU P00749 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL8567302 0.81 RAB9A (0.51) ALDH1A1L3MBTL1KMT2AHTTPOLB
SCHEMBL8566566 0.81 CYP1A2 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2AHTT
SCHEMBL8563141 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8564375 0.78 KMT2A (0.46) ALDH1A1SMN1; SMN2CES2CES1L3MBTL1
SCHEMBL8563396 0.77 CES2 (0.39) ALDH1A1SMN1; SMN2CES2CES1L3MBTL1
SCHEMBL8567165 0.76 PIN1 (0.40) ALDH1A1SMN1; SMN2CES2CES1L3MBTL1
SCHEMBL8562881 0.76 MAPK1 (0.37) ALDH1A1CES2CES1HTTPOLB
SCHEMBL8566366 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL8568534 0.75 CYP19A1 (0.40) SMN1; SMN2HTTPOLBMAPTLMNA
SCHEMBL8564125 0.74 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1HTTCYP1A2

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