SCHEMBL1122695

SCHEMBL1122695

COc1cc(OC)c(C=CS(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
PTGS1 P23219 1/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.46
TLR9 Q9NR96 2/20 0.45
CYP19A1 P11511 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PLAU P00749 1/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2212619 0.86 TUBB4A (0.48) ALDH1A1LMNAPOLBCYP19A1MEN1
SCHEMBL2212628 0.86 TUBB4A (0.48) ALDH1A1LMNAPOLBCYP19A1MEN1
SCHEMBL1122446 0.86 ALDH1A1 (0.63) ALDH1A1LMNACYP19A1CA1CA2
SCHEMBL1634604 0.85 MAPT (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1634600 0.85 MAPT (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2212726 0.84 MEN1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2212730 0.84 MEN1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL1122684 0.82 LMNA (0.54) PTGS2ALDH1A1LMNACA1CA2
SCHEMBL1122313 0.82 ALDH1A1 (0.52) PTGS2PTGS1ALDH1A1LMNAMEN1
SCHEMBL1122699 0.82 MAOA (0.53) ALDH1A1LMNAMEN1KMT2AMAPT

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
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