SCHEMBL3584100

SCHEMBL3584100

O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
DGAT2 Q96PD7 2/20 0.50
FFAR2 O15552 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTR2C P28335 1/20 0.47
EPHX2 P34913 2/20 0.46
LTA4H P09960 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
GLS O94925 1/20 0.46
CTSD P07339 1/20 0.45
BACE1 P56817 2/20 0.45
NPC1 O15118 1/20 0.44
CETP P11597 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
NAMPT P43490 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL5177646 0.91 MAPK14 (0.53) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL3272257 0.88 EPHX2 (0.60) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL3581264 0.84 HTR2C (0.53) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL3572811 0.83 BACE1 (0.60) MAPK14BACE1NPC1ALDH1A1RAB9A
SCHEMBL5177429 0.82 MAPK14 (0.48) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL5175891 0.81 BACE1 (0.58) MAPK14HTR2CEPHX2LTA4HNR1H4
SCHEMBL3584103 0.77 KDM4E (0.47) MAPK14EPHX2LTA4HNPC1CETP
SCHEMBL24439970 0.77 KIF11 (0.54) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL29606146 0.77 KIF11 (0.54) MAPK14DGAT2FFAR2ROCK2ROCK1
SCHEMBL21981021 0.77 AOC2 (0.51) MAPK14FFAR2ROCK2ROCK1GLS

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed