SCHEMBL27463580

SCHEMBL27463580

NC(=O)c1cccnc1[N+](=O)[O-].NS(=O)(=O)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
MAPK1 P28482 1/20 0.40
PARP1 P09874 1/20 0.40
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FTO Q9C0B1 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL31028752 0.87 CA1 (0.50) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8560948 0.87 MAPT (0.51) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8562081 0.87 CA1 (0.50) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL27462207 0.84 MAPT (0.43) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8564974 0.75 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8564029 0.73 KDM4E (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8567678 0.71 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL5700032 0.71 PAX8 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL32669360 0.71 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL8165111 0.70 CA1 (0.51) ALDH1A1MAPTNPC1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed