SCHEMBL5452371

SCHEMBL5452371

C=C[S+]([O-])Cc1ccc(Br)cc1.[O-][S+](C=Cc1ccc(Br)cc1)Cc1ccc(F)cc1.[O-][S+](C=Cc1ccc(Cl)cc1)Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.37
BCL2A1 Q16548 1/20 0.35
NOS2 P35228 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 2/20 0.31
MAOB P27338 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5231716 0.94 GPR183 (0.35) GPR183MEN1KMT2AMAPTNPC1
SCHEMBL5231720 0.94 GPR183 (0.35) GPR183MEN1KMT2AMAPTNPC1
SCHEMBL3236738 0.87 GPR183 (0.44) GPR183MEN1KMT2AMAPTALDH1A1
SCHEMBL3236746 0.87 GPR183 (0.44) GPR183MEN1KMT2AMAPTALDH1A1
SCHEMBL3231927 0.87 GPR183 (0.44) GPR183MEN1KMT2AMAPTALDH1A1
SCHEMBL826353 0.87 GPR183 (0.44) GPR183MEN1KMT2AMAPTALDH1A1
SCHEMBL826352 0.87 GPR183 (0.44) GPR183MEN1KMT2AMAPTALDH1A1
SCHEMBL3236172 0.87 NOS2 (0.41) GPR183BCL2A1NOS2MEN1KMT2A
SCHEMBL3242687 0.87 GPR183 (0.39) GPR183MEN1KMT2AMAPTNPC1
SCHEMBL3236465 0.87 NOS2 (0.41) GPR183BCL2A1NOS2MEN1KMT2A

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-1689706-A4 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2007-11-14 EP disclosed
EP-1689706-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2006-08-16 EP disclosed
WO-2005046599-A2 ALPHA, BETA-UNSATURATED SULFOXIDES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-26 WO disclosed