SCHEMBL1323684

SCHEMBL1323684

COc1ccc(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2ccc(OC)c(O)c2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.56
APP P05067 4/20 0.54
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51
TUBB4B P68371 4/20 0.51
TUBB3 Q13509 4/20 0.51
TUBB2A Q13885 4/20 0.51
TUBB8 Q3ZCM7 4/20 0.51
TUBA3E Q6PEY2 4/20 0.51
TUBA1A Q71U36 4/20 0.51
TUBA1C Q9BQE3 4/20 0.51
TUBB6 Q9BUF5 4/20 0.51
TUBB2B Q9BVA1 4/20 0.51
ALOX5 P09917 1/20 0.51
NQO1 P15559 1/20 0.51
NQO2 P16083 1/20 0.51
SLC22A2 O15244 1/20 0.51

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
SCHEMBL1323690 1.00 TUBB1 (0.56) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323688 1.00 TUBB1 (0.56) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1324161 0.92 TUBB1 (0.59) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323663 0.92 TUBB1 (0.59) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323667 0.92 TUBB1 (0.59) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323671 0.92 TUBB1 (0.59) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1324160 0.92 TUBB1 (0.59) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323565 0.92 TUBB1 (0.65) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323569 0.92 TUBB1 (0.65) TUBB1APPTUBB4ATUBBTUBA3C
SCHEMBL1323574 0.92 TUBB1 (0.65) TUBB1APPTUBB4ATUBBTUBA3C

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-1773310-B9 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2012-04-25 EP disclosed
US-8058313-B2 4-((1E)-2-(((E)-2-fluoro-4-cyanostyrylsulfonyl)methylsulfonyl)vinyl)-3-fluoro-benzonitrile; mitogen activated protein kinase inhibitor; cell growth factor receptor antagonist; angiogenesis inhibitor, antiproliferative and anticarcinogenic agent; neurodegenerative diseases Temple University—Of the Commonwealth System of Higher Education (US) 2011-11-15 US disclosed
EP-1773310-B1 ALPHA, BETA-UNSATURATED SULFONES, SULFOXIDES, SULFONIMIDES, SULFINIMIDES, ACYLSULFONAMIDES AND ACYLSULFINAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-10-19 EP disclosed