SCHEMBL8566052

SCHEMBL8566052

Nc1cncc(S(=O)(=O)NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.49
CYP19A1 P11511 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.46
VCAM1 P19320 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43

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
SCHEMBL8562255 0.81 ALDH1A1 (0.51) LMNASMN1; SMN2MAPTHTTCA9
SCHEMBL8566904 0.79 MGMT (0.44) CYP19A1LMNAMAPTHTTCA9
SCHEMBL8561895 0.78 HTT (0.52) NSD2CYP19A1POLBLMNAVCAM1
SCHEMBL8560152 0.77 CYP19A1 (0.60) CYP19A1LMNAVCAM1SMN1; SMN2SLC12A2
SCHEMBL8599625 0.77 CA9 (0.36) LMNASMN1; SMN2MAPTCA12CA9
SCHEMBL8566312 0.76 MAPT (0.53) POLBLMNASMN1; SMN2MAPTHTT
SCHEMBL8567834 0.75 POLB (0.48) NSD2CYP19A1POLBLMNAVCAM1
SCHEMBL8567841 0.75 CYP19A1 (0.57) NSD2CYP19A1POLBLMNAVCAM1
SCHEMBL8596230 0.75 RECQL (0.41) POLBLMNASMN1; SMN2HTTCA12
SCHEMBL8563126 0.74 CYP19A1 (0.50) NSD2CYP19A1POLBLMNAVCAM1

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