SCHEMBL8560442

SCHEMBL8560442

Nc1c(C(=O)O)ccnc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ASPH Q12797 2/20 0.45
KDM8 Q8N371 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
KDM4A O75164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM6B O15054 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL8567497 0.86 ALDH1A1 (0.42) KDM4EASPHKDM8ALDH1A1CYP3A4
SCHEMBL8563829 0.85 MAPK1 (0.37) KDM4EASPHKDM8TDP1ALDH1A1
SCHEMBL23022139 0.81 KDM4E (0.43) KDM4EASPHKDM8TDP1ALDH1A1
SCHEMBL8563396 0.79 CES2 (0.39) KDM4EASPHKDM8ALDH1A1L3MBTL1
SCHEMBL8564862 0.79 KDM4E (0.37) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL8567191 0.77 NAPRT (0.50) KDM4EASPHKDM8TDP1ALDH1A1
SCHEMBL3709618 0.77 GAA (0.39) KDM4ETDP1ALDH1A1CYP3A4ALOX15
SCHEMBL8561698 0.76 NSD2 (0.50) CYP3A4L3MBTL1MEN1KMT2AMAPK8
SCHEMBL8560654 0.76 RAB9A (0.52) TDP1ALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL8141010 0.76 HTT (0.37) TDP1ALDH1A1CYP3A4ALOX15MAPT

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