SCHEMBL8599095

SCHEMBL8599095

C=CCN(CC=C)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 6/20 0.36
MAPT P10636 6/20 0.36
GLA P06280 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HIF1A Q16665 2/20 0.36
POLB P06746 3/20 0.35
TSHR P16473 6/20 0.35
HSD17B10 Q99714 5/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL8596169 0.80 MAPT (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8601173 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8599396 0.79 ESR1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8598680 0.78 MAPT (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8602467 0.78 KDM4E (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8601762 0.75 TDP1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8597788 0.75 GSK3A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8595032 0.74 MAPT (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8564301 0.73 KDM4E (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8561932 0.72 KDM4E (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD

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