SCHEMBL8599491

SCHEMBL8599491

C=CCNS(=O)(=O)c1nccc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8601717 0.80 ALDH1A1 (0.36) KMT2AATMCDK2CCNA2GSK3A
SCHEMBL8601525 0.80 KMT2A (0.36) HIF1AKMT2AATMCDK2CCNA2
SCHEMBL8599698 0.79 KMT2A (0.43) KMT2AATMCDK2CCNA2CA12
SCHEMBL8567834 0.79 POLB (0.48) ATMCA12CA1CA2CA9
SCHEMBL8597463 0.78 HTT (0.39) KMT2ACA12CA1CA2CA9
SCHEMBL8600533 0.77 TDP1 (0.38) KMT2AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL8627058 0.77 CA12 (0.35) KMT2ACA12CA1CA2CA9
SCHEMBL8600832 0.76 MEN1 (0.51) HIF1AKMT2AMAPTALDH1A1HTT
SCHEMBL8600670 0.74 TSHR (0.34) HIF1AKMT2ACDK2CCNA2CA12
SCHEMBL8567904 0.74 CA2 (0.39) KMT2ACA12CA1CA2CA9

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