SCHEMBL1413875

SCHEMBL1413875

O=Cc1sc2ccsc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.37
CYP2A6 P11509 2/20 0.35
CES1 P23141 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL18696075 0.78 GPR35 (0.38) GPR35CYP2A6
SCHEMBL6925518 0.77 GPR35 (0.53) GPR35CYP2A6HDAC3HDAC4HDAC1
SCHEMBL22832580 0.73 GPR35 (0.34) GPR35CYP2A6
SCHEMBL1030041 0.73 GPR35 (0.42) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL15713210 0.73 GPR35 (0.38) GPR35CES1HDAC3HDAC4HDAC1
SCHEMBL22832582 0.72
SCHEMBL17448375 0.71 GPR35 (0.30) GPR35
SCHEMBL12334978 0.69 GPR35 (0.36) GPR35
SCHEMBL18827694 0.68 GPR35 (0.39) GPR35
SCHEMBL22832613 0.68 GPR35 (0.66) GPR35HDAC3HDAC4HDAC1HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291427-B1 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS SOLVAY USA INC (US) 2016-03-30 EP disclosed
US-8906520-B2 Sulfonated polythiophenes comprising fused ring repeat units SOLVAY USA, INC. (US) 2014-12-09 US disclosed
US-20110147725-A1 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS PLEXTRONICS, INC. 2011-06-23 US disclosed
EP-2291427-A2 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS Plextronics, Inc. (US) 2011-03-09 EP disclosed
WO-2009152165-A2 SULFONATED POLYTHIOPHENES COMPRISING FUSED RING REPEAT UNITS PLEXTRONICS, INC. (US) 2009-12-17 WO disclosed