SCHEMBL5250336

SCHEMBL5250336

Cc1c(C(C=O)SCc2ccc(Cl)cc2)sc2ccc(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ROCK1 Q13464 6/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CMA1 P23946 2/20 0.33
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP2A6 P11509 1/20 0.32
PFKFB3 Q16875 1/20 0.32
PFKFB4 Q16877 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 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
SCHEMBL7567350 0.78 ROCK1 (0.44) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL5250330 0.74 ROCK1 (0.43) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL8303440 0.70 ROCK1 (0.50) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL8299998 0.68 ROCK1 (0.46) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL22320232 0.68 ROCK1 (0.46) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL6984802 0.68 MAPT (0.54) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL3323953 0.68 CXCR2 (0.47) MAPTROCK1
SCHEMBL1254005 0.66 ROCK1 (0.49) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL8295552 0.63 ROCK1 (0.56) MAPTROCK1NPSR1L3MBTL1CMA1
SCHEMBL10091955 0.61 MAPT (0.56) MAPTROCK1NPSR1L3MBTL1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO disclosed