SCHEMBL8968538

SCHEMBL8968538

Nc1ccc2c(c1)SCS(=O)(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
Hydrochloric Acid SCHEMBL8968458 0.98 KDM4E (0.38) KDM4EGAAMAPTL3MBTL1CASP1
SCHEMBL4577378 0.77 MAPT (0.41) KDM4EGAAMAPTL3MBTL1CASP1
SCHEMBL4998519 0.75 MEN1 (0.42) KDM4EGAAMAPTL3MBTL1RECQL
SCHEMBL3600994 0.73 CA9 (0.39) KDM4EGAAMAPTL3MBTL1CASP1
SCHEMBL8968246 0.73 SNCA (0.48) MAPTCA9CA12ABCC8KCNJ11
SCHEMBL15534512 0.68 MEN1 (0.41) KDM4EGAAMAPTL3MBTL1CA9
SCHEMBL31469916 0.67 MAOB (0.64) CA9
SCHEMBL3599644 0.67 MAOB (0.64) CA9
SCHEMBL8968516 0.66 ALDH1A1 (0.44) GAAMAPTCA9CA12MEN1
SCHEMBL6911886 0.66 PRMT5 (0.40)

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
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
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 WO disclosed