SCHEMBL8563126

SCHEMBL8563126

Nc1cnc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
POLB P06746 1/20 0.50
VCAM1 P19320 1/20 0.47
LMNA P02545 2/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
NSD2 O96028 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
KEAP1 Q14145 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL8562052 0.81 ALDH1A1 (0.50) LMNASMN1; SMN2CA9KMT2A
SCHEMBL8563598 0.80 LMNA (0.55) CYP19A1POLBVCAM1LMNASLC12A2
SCHEMBL8568512 0.79 CA1 (0.41) CYP19A1POLBCA12CA9KMT2A
SCHEMBL8567841 0.79 CYP19A1 (0.57) CYP19A1POLBVCAM1LMNASLC12A2
SCHEMBL8563864 0.79 NSD2 (0.49) CYP19A1POLBVCAM1LMNASLC12A2
SCHEMBL8598890 0.78 TSHR (0.34) CYP19A1SMN1; SMN2CA12CA9KMT2A
SCHEMBL8569474 0.77 HTT (0.49) POLBLMNASMN1; SMN2KMT2A
SCHEMBL8601240 0.76 RECQL (0.40) CYP19A1POLBLMNASMN1; SMN2CA12
SCHEMBL8566052 0.74 NSD2 (0.49) CYP19A1POLBVCAM1LMNASLC12A2
SCHEMBL8561895 0.74 HTT (0.52) CYP19A1POLBVCAM1LMNASLC12A2

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