SCHEMBL8599059

SCHEMBL8599059

CCCCCOc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
TLR8 Q9NR97 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
MCHR1 Q99705 2/20 0.39

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
SCHEMBL8566254 0.84 IKBKB (0.42) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8629459 0.80 CYP19A1 (0.39) CYP19A1LMNAMEN1KMT2AHTT
SCHEMBL8601222 0.80 MAPT (0.42) CYP19A1LMNAMEN1KMT2ATLR8
SCHEMBL14764478 0.80 MEN1 (0.54) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL29871162 0.80 MEN1 (0.54) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8601051 0.79 ALDH1A1 (0.49) LMNANPC1RAB9AALDH1A1POLB
SCHEMBL8601080 0.78 HTT (0.43) LMNAMEN1KMT2AHTTTLR8
SCHEMBL5038254 0.78 CYP11B1 (0.50) CYP19A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL8599555 0.77 CNR1 (0.42) CYP19A1LMNAMEN1KMT2AHTT
SCHEMBL5145767 0.77 MAPT (0.47) LMNAMEN1KMT2AHTTSMN1; SMN2

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