SCHEMBL8563598

SCHEMBL8563598

O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
CYP19A1 P11511 1/20 0.54
KDM4E B2RXH2 1/20 0.52
NSD2 O96028 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
VCAM1 P19320 1/20 0.48
KMT2A Q03164 1/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
KEAP1 Q14145 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL8563864 0.83 NSD2 (0.49) LMNACYP19A1KDM4ENSD2CA12
SCHEMBL8563126 0.80 CYP19A1 (0.50) LMNACYP19A1NSD2CA12CA9
SCHEMBL8563296 0.79 ALDH1A1 (0.51) LMNAKDM4EKMT2AALDH1A1MAPK1
SCHEMBL4504076 0.79 CYP19A1 (0.83) LMNACYP19A1CA12CA9VCAM1
SCHEMBL8597357 0.78 ALDH1A1 (0.39) LMNACYP19A1KDM4ECA12KMT2A
SCHEMBL8567910 0.78 RAB9A (0.58) LMNACYP19A1KDM4ECA12CA9
SCHEMBL8566147 0.77 KMT2A (0.53) CYP19A1KDM4ECA9KMT2AALDH1A1
SCHEMBL8599314 0.76 RECQL (0.51) LMNAKDM4ECA12CA9KMT2A
SCHEMBL8561895 0.75 HTT (0.52) LMNACYP19A1KDM4ENSD2CA12
SCHEMBL8560152 0.75 CYP19A1 (0.60) LMNACYP19A1CA12VCAM1SLC12A2

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 4 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
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed