SCHEMBL7832647

SCHEMBL7832647

CSc1ccc(CC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
GSK3B P49841 2/20 0.47
HAO1 Q9UJM8 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL6513182 1.00 HSP90AA1 (0.49) HSP90AA1KCNH2HDAC3HDAC4HDAC1
SCHEMBL11146924 0.86 HDAC3 (0.52) HSP90AA1KCNH2HDAC3HDAC4HDAC1
SCHEMBL8584136 0.86 GSK3B (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29985867 0.86 GSK3B (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6386624 0.85 SRD5A2 (0.57) HAO1NPC1RAB9AL3MBTL1MEN1
SCHEMBL7832348 0.85 NPC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7850760 0.83 RAB9A (0.68) GSK3BHAO1NPC1RAB9AL3MBTL1
SCHEMBL3940582 0.83 RAB9A (0.68) GSK3BHAO1NPC1RAB9AL3MBTL1
SCHEMBL4772297 0.83 LMNA (0.47) HAO1NPC1RAB9AL3MBTL1MEN1
SCHEMBL3941321 0.83 LMNA (0.47) HAO1NPC1RAB9AL3MBTL1MEN1

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed