SCHEMBL8597992

SCHEMBL8597992

C=CCNc1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GLA P06280 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL8600230 0.82 GSK3A (0.48) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL8563024 0.82 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8598657 0.79 HPGD (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8598530 0.79 KDM4E (0.37) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL8595424 0.78 SLC2A1 (0.49) RAB9AKMT2ASMN1; SMN2MAPK1HTT
SCHEMBL8601130 0.78 KDM4E (0.38) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL5452943 0.78 KDM4E (0.48) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL1457240 0.78 KDM4E (0.45) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL8597788 0.78 GSK3A (0.46) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL2946229 0.77 CHRM2 (0.65) KDM4ERAB9AALDH1A1KMT2AMEN1

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