SCHEMBL15041014

SCHEMBL15041014

O=C(C(=S)c1cc2sc3ccsc3c2s1)c1cc2sc3ccsc3c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.44
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15041015 0.89 GPR35 (0.52) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL15040954 0.82 GPR35 (0.42) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL15041000 0.82 GPR35 (0.52) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL12391942 0.80 GPR35 (0.71) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL12391945 0.79 GPR35 (0.48) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL4280077 0.71 GPR35 (0.40) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL15274423 0.70 GPR35 (0.46) GPR35GAAALDH1A1NPC1RAB9A
SCHEMBL17086893 0.69 GPR35 (0.48) GPR35HDAC1ALDH1A1MAPTHPGD
SCHEMBL13801951 0.69 GPR35 (0.43) GPR35HDAC3HDAC4HDAC1HDAC7
SCHEMBL407079 0.69 GPR35 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed