SCHEMBL8603232

SCHEMBL8603232

C=CCNc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
HCAR3 P49019 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 6/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8596102 0.80 HCAR3 (0.42) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL8599698 0.77 KMT2A (0.43) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL113131 0.77 GSK3A (0.46) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL8921373 0.76 HTT (0.64) KMT2ACA1CA2MAPTMEN1
SCHEMBL8601525 0.76 KMT2A (0.36) GSK3AGSK3BKMT2AATMCA12
SCHEMBL8599108 0.76 SMN1; SMN2 (0.43) KMT2ACCNA2CDK2MAPTMEN1
SCHEMBL30115273 0.75 MAPT (0.42) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL8598011 0.75 MAPT (0.49) KMT2AHCAR3MAPTMEN1L3MBTL1
SCHEMBL8602838 0.75 HTT (0.39) KMT2AATMMAPTMEN1HTT
SCHEMBL8883991 0.73 KMT2A (0.37) GSK3AGSK3BKMT2AATMHCAR3

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