SCHEMBL8602467

SCHEMBL8602467

C=CCN(CC=C)c1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 4/20 0.35
GLA P06280 4/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 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
NQO2 P16083 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 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 0.82 MAPT (0.41) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL8598395 0.79 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8596283 0.79 MEN1 (0.37) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL8601130 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL8599095 0.78 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL8597992 0.75 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2GLAHSD17B10
SCHEMBL8597358 0.75 DHFR (0.41) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL8564523 0.75 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL8598975 0.74 POLB (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8598811 0.74 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGLA

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