SCHEMBL13770698

SCHEMBL13770698

CN(C)c1ccc2c(c1)-c1sc(C(=O)Nc3c(F)cccc3F)cc1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
DHODH Q02127 2/20 0.43
NOTUM Q6P988 5/20 0.42
HPGD P15428 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
IL2 P60568 2/20 0.38
HTT P42858 2/20 0.37
HCRTR1 O43613 1/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 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
SCHEMBL12848580 0.85 NOTUM (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848875 0.84 MAPT (0.48) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL13770697 0.83 NOTUM (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848725 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL13770532 0.83 IL2 (0.55) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848723 0.82 MAPT (0.45) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848954 0.81 NOTUM (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL13770540 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848755 0.79 BTK (0.42) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL12848481 0.79 MEN1 (0.42) KDM4EALDH1A1MAPTNPC1RAB9A

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-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed