SCHEMBL8601240

SCHEMBL8601240

CCCCCNS(=O)(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PDK1 Q15118 2/20 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
SCHEMBL8596090 0.81 TXNRD1 (0.41) POLBL3MBTL1HTTLMNAMEN1
SCHEMBL8598258 0.80 L3MBTL1 (0.47) RECQLPOLBL3MBTL1CA12CA9
SCHEMBL8634277 0.79 CYP19A1 (0.37) RECQLL3MBTL1CA12CA9MAPK1
SCHEMBL8596152 0.78 RECQL (0.43) RECQLPOLBL3MBTL1CA12CA9
SCHEMBL8599314 0.78 RECQL (0.51) RECQLPOLBL3MBTL1CA12CA9
SCHEMBL8598890 0.78 TSHR (0.34) CA12CA9MAPK1MEN1TSHR
SCHEMBL8599737 0.77 L3MBTL1 (0.49) POLBL3MBTL1LMNAMAPK1TDP1
SCHEMBL8563126 0.76 CYP19A1 (0.50) POLBCA12CA9LMNAKMT2A
SCHEMBL8560405 0.74 NT5E (0.43) RECQLPOLBL3MBTL1CA12CA9
SCHEMBL8596230 0.74 RECQL (0.41) RECQLPOLBL3MBTL1CA12CA9

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