SCHEMBL8567699

SCHEMBL8567699

CC(=O)c1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPRT1 P00492 1/20 0.43
CASP6 P55212 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8568311 0.88 ALOX15 (0.53) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8559145 0.85 GRM2 (0.52) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8561159 0.80 SMN1; SMN2 (0.42) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8569274 0.79 MEN1 (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8601373 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8568794 0.78 HPGD (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL8566524 0.78 MEN1 (0.53) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL28232869 0.78 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8562941 0.77 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL8599321 0.76 HPGD (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; 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