SCHEMBL8599698

SCHEMBL8599698

C=CCNc1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ATM Q13315 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
HTT P42858 5/20 0.39
LMNA P02545 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
HCAR3 P49019 1/20 0.36
MEN1 O00255 5/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8599491 0.79 HIF1A (0.39) KMT2AATMGSK3AGSK3BHTT
SCHEMBL8603232 0.77 GSK3A (0.45) KMT2AATMGSK3AGSK3BHTT
SCHEMBL8562625 0.76 HTT (0.67) HTTLMNAALDH1A1NPC1MAPT
SCHEMBL8599362 0.76 SMN1; SMN2 (0.43) KMT2AHTTLMNACCNA2CDK2
SCHEMBL25167946 0.75 LMNA (0.43) KMT2AHTTLMNAALDH1A1NPC1
SCHEMBL8597635 0.75 L3MBTL1 (0.49) KMT2AHTTLMNAALDH1A1NPC1
SCHEMBL3874226 0.75 MEN1 (0.36) KMT2AHTTLMNAALDH1A1NPC1
SCHEMBL113131 0.74 GSK3A (0.46) KMT2AATMGSK3AGSK3BLMNA
SCHEMBL8600198 0.74 MAPT (0.58) KMT2AHTTLMNAALDH1A1NPC1
SCHEMBL8601717 0.73 ALDH1A1 (0.36) KMT2AATMGSK3AGSK3BHTT

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