SCHEMBL7832652

SCHEMBL7832652

Cc1csc(CC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
KMT2A Q03164 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT6 P42226 1/20 0.41

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
SCHEMBL7832355 0.89 NPC1 (0.47) GSK3BKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL4778027 0.84 RAB9A (0.43) KMT2AMEN1NPC1RAB9AHSD11B1
SCHEMBL7850769 0.84 RAB9A (0.55) GSK3BKMT2AALDH1A1MEN1POLB
SCHEMBL6168851 0.84 RAB9A (0.47) GSK3BKMT2AALDH1A1CYP3A4MEN1
SCHEMBL7622865 0.82 TDP1 (0.50) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL7839557 0.82 NPC1 (0.51) GSK3BKMT2AHDAC3HDAC4HDAC1
SCHEMBL7568236 0.79 CES2 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL7846518 0.78 CES2 (0.43) KMT2AHDAC1CYP1A2CYP3A4CYP2C9
SCHEMBL7746397 0.78 HDAC1 (0.43) KMT2AHDAC1HDAC6MEN1POLB
SCHEMBL7833284 0.75 KMT2A (0.48) KMT2AHDAC1HDAC6ALDH1A1CYP1A2

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