SCHEMBL5250330

SCHEMBL5250330

Cc1c(C(Br)C=O)sc2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.43
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
AKR1B1 P15121 1/20 0.38
CYP2A6 P11509 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SLC2A1 P11166 1/20 0.37
CMA1 P23946 3/20 0.36
PFKFB3 Q16875 3/20 0.36
PFKFB4 Q16877 2/20 0.36

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 0.84 ROCK1 (0.44) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL3417296 0.78 ALDH1A1 (0.39) ROCK1L3MBTL1MAPTKDM4ECYP2A6
SCHEMBL8303440 0.78 ROCK1 (0.50) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL22320232 0.76 ROCK1 (0.46) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL5250336 0.74 MAPT (0.40) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL1254005 0.73 ROCK1 (0.49) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL8299998 0.73 ROCK1 (0.46) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL2824862 0.71 ROCK1 (0.53) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL8295552 0.70 ROCK1 (0.56) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL6984802 0.70 MAPT (0.54) ROCK1NPSR1L3MBTL1MAPTKDM4E

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