SCHEMBL9923944

SCHEMBL9923944

COc1cc(Oc2ccc(NC(=O)[C@@](C)(F)NC(=O)OC(C)(C)C)cn2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
RAF1 P04049 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL23927067 0.89 MAPT (0.44) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL30258055 0.89 MAPT (0.44) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL13832477 0.89 MAPT (0.40) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL29437965 0.87 MAPT (0.39) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL15308385 0.87 MAPT (0.39) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL19749963 0.87 MAPT (0.39) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL21980924 0.82 SUV39H2 (0.42) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL13832421 0.82 SUV39H2 (0.42) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL1978678 0.82 MAPT (0.42) MAPTGAAMAPK1L3MBTL1TDP1
SCHEMBL1980442 0.82 MAPT (0.42) MAPTGAAMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed