SCHEMBL14647690

SCHEMBL14647690

CCCCCCCCCCCCCc1csc2c(Br)c(-c3sc4c(CCCCCCCCCCCCC)csc4c3Br)sc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.46
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 5/20 0.33
PTGS2 P35354 3/20 0.33
TYR P14679 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14647663 1.00 GPR35 (0.46) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1156982 0.83 GPR35 (0.53) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1156975 0.83 GPR35 (0.53) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL9948836 0.83 GPR35 (0.53) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1157293 0.82 GPR35 (0.55) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1363005 0.81 GPR35 (0.51) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1156653 0.81 GPR35 (0.51) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL12409090 0.81 GPR35 (0.51) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL12409103 0.81 GPR35 (0.51) GPR35CYSLTR2CYSLTR1LIPGALOX5
SCHEMBL1364625 0.81 GPR35 (0.51) GPR35CYSLTR2CYSLTR1LIPGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
US-20140131628-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2014-05-15 US disclosed
WO-2013007334-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-01-17 WO disclosed