SCHEMBL8563864

SCHEMBL8563864

Nc1c(S(=O)(=O)NCc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.49
LMNA P02545 3/20 0.49
CYP19A1 P11511 1/20 0.48
POLB P06746 1/20 0.48
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
KDM4E B2RXH2 1/20 0.44
KEAP1 Q14145 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL8563598 0.83 LMNA (0.55) NSD2LMNACYP19A1POLBVCAM1
SCHEMBL8561895 0.82 HTT (0.52) NSD2LMNACYP19A1POLBVCAM1
SCHEMBL8562148 0.81 ALDH1A1 (0.48) LMNAPOLBSMN1; SMN2KDM4ECA9
SCHEMBL8563126 0.79 CYP19A1 (0.50) NSD2LMNACYP19A1POLBVCAM1
SCHEMBL8600670 0.79 TSHR (0.34) LMNACYP19A1SMN1; SMN2KDM4ECA12
SCHEMBL8568477 0.79 KMT2A (0.44) CYP19A1POLBCA12CA9ATM
SCHEMBL8596152 0.77 RECQL (0.43) LMNAPOLBSMN1; SMN2KDM4EL3MBTL1
SCHEMBL8562887 0.76 BACE1 (0.52) LMNAPOLBSMN1; SMN2KDM4EL3MBTL1
SCHEMBL8567834 0.75 POLB (0.48) NSD2LMNACYP19A1POLBVCAM1
SCHEMBL8567841 0.75 CYP19A1 (0.57) NSD2LMNACYP19A1POLBVCAM1

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