SCHEMBL8599819

SCHEMBL8599819

CCCCCC(=O)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 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
SCHEMBL8595814 0.82 KMT2A (0.46) LMNAKMT2AALDH1A1HTTMEN1
SCHEMBL8597779 0.82 ESR1 (0.48) LMNAALDH1A1MAPTHTTGAA
SCHEMBL19876951 0.80 HTT (0.46) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL4011235 0.80 MEN1 (0.44) KMT2AMAPTMEN1KDM4E
SCHEMBL8568499 0.79 POLB (0.46) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL8568264 0.79 POLB (0.41) ALDH1A1HTTGAACYP1A2POLB
SCHEMBL8569505 0.77 POLB (0.47) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL8596247 0.77 MAPT (0.44) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL8599650 0.77 CYP1A2 (0.51) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL8602254 0.76 LMNA (0.41) PLA2G2ALMNAKMT2AALDH1A1MAPT

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