SCHEMBL6984802

SCHEMBL6984802

Cc1c(CC=O)sc2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
ROCK1 Q13464 6/20 0.46
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.40
AKR1B1 P15121 1/20 0.40
CMA1 P23946 3/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PFKFB3 Q16875 3/20 0.38
PFKFB4 Q16877 2/20 0.38
TBXAS1 P24557 1/20 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
SCHEMBL3928426 0.81 CYP2A6 (0.41) MAPTCYP2A6PIM1PIM2PFKFB3
SCHEMBL3926261 0.81 KDM4E (0.41) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL10091955 0.80 MAPT (0.56) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL11256326 0.78 MAPT (0.54) MAPTROCK1NPSR1L3MBTL1KDM4E
Tianafac SCHEMBL2109723 0.77 MAPT (0.67) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL6118386 0.77 ALDH1A1 (0.41) MAPTROCK1L3MBTL1
SCHEMBL1253216 0.76 MAPT (0.52) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL1253215 0.76 MAPT (0.56) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL1254005 0.76 ROCK1 (0.49) MAPTROCK1NPSR1L3MBTL1KDM4E
SCHEMBL4939687 0.74 MCL1 (0.40) MAPTNPSR1KDM4ECYP2A6TBXAS1

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed