SCHEMBL8599555

SCHEMBL8599555

CCCCCOc1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 7/20 0.40
MGMT P16455 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP19A1 P11511 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.36

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
SCHEMBL8572912 0.84 MGMT (0.39) MAPTMGMTLMNAMEN1KMT2A
SCHEMBL8598969 0.79 ALDH1A1 (0.46) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL8626136 0.79 CYP19A1 (0.38) MAPTNPC1RAB9ANCOA1NCOA3
SCHEMBL1959760 0.79 MEN1 (0.45) MAPTMGMTLMNAMEN1KMT2A
SCHEMBL30622686 0.79 MEN1 (0.45) MAPTMGMTLMNAMEN1KMT2A
SCHEMBL8597378 0.78 MEN1 (0.41) MAPTMGMTNPC1RAB9ACYP19A1
SCHEMBL9965037 0.78 MAPT (0.42) CNR1ACHECNR2MAPTMGMT
SCHEMBL5333048 0.78 CYP3A4 (0.40) CNR1ACHECNR2NPC1LMNA
SCHEMBL28203110 0.77 MEN1 (0.40) MAPTMGMTRAB9ACYP19A1LMNA
SCHEMBL8599059 0.77 CYP19A1 (0.43) MAPTNPC1RAB9ACYP19A1LMNA

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