SCHEMBL3904005

SCHEMBL3904005

CC(=O)c1cccc(C)c1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.49
CYP46A1 Q9Y6A2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
CSNK1D P48730 2/20 0.42
CLK2 P49760 2/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MYC P01106 1/20 0.42
FABP4 P15090 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CDC7 O00311 2/20 0.40
POLB P06746 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39

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
SCHEMBL7239423 0.81 JAK2 (0.49) TYK2CSNK1DCLK2CSNK1A1CSNK1G1
SCHEMBL27786052 0.80 CYP46A1 (0.44) TYK2CYP46A1L3MBTL1NPC1RAB9A
SCHEMBL11155208 0.79 MAPT (0.48) TYK2CYP46A1ALDH1A1KDM4ETDP1
SCHEMBL6608502 0.79 JAK2 (0.52) RAB9AFABP4ALDH1A1KDM4ECDC7
SCHEMBL3902060 0.78 BRD4 (0.44) MYCFABP4ALDH1A1KDM4ECHEK2
SCHEMBL6953781 0.78 FABP4 (0.45) TYK2L3MBTL1NPC1FABP4ALDH1A1
SCHEMBL1395221 0.76 ALDH1A1 (0.46) TYK2CYP46A1L3MBTL1CSNK1DCLK2
SCHEMBL16144183 0.75 ALDH1A1 (0.47) L3MBTL1NPC1RAB9AMYCMAPK1
SCHEMBL3646839 0.74 PLK4 (0.54) CSNK1DCLK2CDC7SIRT3TDP1
SCHEMBL3907815 0.73 TRPM8 (0.43) MYCFABP4ALDH1A1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed