SCHEMBL1123002

SCHEMBL1123002

O=C(O)CS(=O)(=O)Nc1cc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.33
MMP2 P08253 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
CYP2C19 P33261 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
P4HTM Q9NXG6 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP12 P39900 1/20 0.31

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
SCHEMBL6365958 0.78 KDM4E (0.54) MMP13MMP2CA1CA2MMP1
SCHEMBL6594119 0.71 HPGD (0.52) ALDH1A1KDM4EHPGDGAA
SCHEMBL20503569 0.71 HTT (0.39) CA1CA2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1122455 0.70 ATM (0.40) SMN1; SMN2ALDH1A1HPGDMEN1GAA
SCHEMBL1093985 0.69 ALDH1A1 (0.50) MMP13MMP2CA1CA2MMP1
SCHEMBL3064600 0.69
SCHEMBL28335271 0.68
SCHEMBL9276441 0.68 CYP2C19 (0.33) MMP2ALDH1A1CYP2C19MMP7MMP14
SCHEMBL28137717 0.68 TSHR (0.50) CA1CA2CYP2C19MEN1KMT2A
Fluorobenzene SCHEMBL27830219 0.68 KMT2A (0.36) ALDH1A1KDM4EMEN1GAAKMT2A

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-1379508-B9 N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-02-09 EP disclosed
EP-1379508-B1 N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2010-09-01 EP disclosed
US-6646009-B2 Use against proliferative disorders including cancer, and as a radioprotective compound for normal cells from ionizing radiation Temple University — Of Commonwealth System of Higher Education 2003-11-11 US disclosed