SCHEMBL8968330

SCHEMBL8968330

CC1=NS(=O)(=O)Nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GSK3B P49841 1/20 0.41
PTGES O14684 4/20 0.40
ALOX5 P09917 4/20 0.40
MAPT P10636 3/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
HTT P42858 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39

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
Sulfuric Acid SCHEMBL9540578 0.93 CAPN9 (0.43) CAPN9CASP3CA12CA9CYP3A4
SCHEMBL8319980 0.71 PDE7A (0.44) CA12CA9CYP3A4MEN1KMT2A
SCHEMBL15435590 0.70 HTR1D (0.46) CAPN9CASP3CYP3A4TSHRMEN1
SCHEMBL8968231 0.69 CAPN9 (0.49) CAPN9CASP3CA12CA9CYP3A4
SCHEMBL15435591 0.69 LMNA (0.65) CAPN9CASP3CYP3A4MEN1KMT2A
SCHEMBL15884037 0.68 ALDH1A1 (0.60) CAPN9CASP3CA12CA9CYP3A4
SCHEMBL8968000 0.67 CA12 (0.47) CAPN9CASP3CA12CA9CYP3A4
SCHEMBL20558336 0.66 MAPT (0.44) CAPN9CASP3CA12CA9CYP3A4
SCHEMBL5259225 0.64 CAPN9 (0.54) CAPN9CASP3CA9CYP3A4MEN1
SCHEMBL31415513 0.63 ALDH1A1 (0.50) CAPN9CASP3CYP3A4TSHRMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504095-A Aminobenzosultam derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-04-02 US disclosed
EP-0549666-B1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1994-11-23 EP disclosed