SCHEMBL8601525

SCHEMBL8601525

C=CCNS(=O)(=O)c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 6/20 0.34
KDM4E B2RXH2 2/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL8600670 0.82 TSHR (0.34) KMT2AGSK3AGSK3BTSHRMAPK1
SCHEMBL8601738 0.80 ALDH1A1 (0.42) KMT2ATSHRHTTKDM4EMITF
SCHEMBL8599491 0.80 HIF1A (0.39) KMT2AATMGSK3AGSK3BTSHR
SCHEMBL8561895 0.79 HTT (0.52) MAPK1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL8625607 0.78 CA12 (0.35) KMT2AGSK3AGSK3BTSHRHTT
SCHEMBL8598219 0.78 RECQL (0.43) KMT2ATSHRMAPK1HTTKDM4E
SCHEMBL8598387 0.77 KDM4E (0.38) KMT2ATSHRHTTKDM4EMITF
SCHEMBL8603232 0.76 GSK3A (0.45) KMT2AATMGSK3AGSK3BHTT
SCHEMBL8599625 0.75 CA9 (0.36) KMT2AATMGSK3AGSK3BTSHR
SCHEMBL8568115 0.74 MAPT (0.42) KMT2AHTTKDM4EMITFMAPT

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