SCHEMBL320979

SCHEMBL320979

CCCCCCCCc1cc(Br)sc1-c1sc(-c2sc(Br)cc2CCCCCCCC)c2sc(C(=O)C(CC)CCCC)cc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.36
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL10077128 0.84
SCHEMBL321518 0.84 GPR35 (0.39) GPR35CYSLTR2CYSLTR1
SCHEMBL322223 0.84 PRSS1 (0.41) GPR35CA2
SCHEMBL15187518 0.80 GPR35 (0.32) GPR35
SCHEMBL321048 0.77 GAA (0.33) CA1CA2
SCHEMBL321192 0.73 CA2 (0.39) CA1CA2
SCHEMBL2308334 0.72 ALOX5 (0.41) GPR35
SCHEMBL2363742 0.72 ALOX5 (0.41) GPR35
SCHEMBL4584517 0.72 ALOX5 (0.41) GPR35
SCHEMBL12182048 0.71 GPR35 (0.38) GPR35CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287505-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-9287505-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20130207045-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-15 US disclosed
US-20130207045-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-15 US disclosed
EP-2590986-A2 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2013-05-15 EP disclosed
WO-2012003919-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed