SCHEMBL3581264

SCHEMBL3581264

CC(C)(C)Oc1ccc(CNC(=O)Cc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
MAPK14 Q16539 1/20 0.53
EPHX2 P34913 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
LTA4H P09960 1/20 0.51
DGAT2 Q96PD7 2/20 0.50
NPC1 O15118 1/20 0.50
NLRP3 Q96P20 1/20 0.49
VNN1 O95497 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CTSD P07339 1/20 0.47
GLS O94925 2/20 0.47
PPARA Q07869 2/20 0.47
PLA2G1B P04054 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL3272257 0.88 EPHX2 (0.60) MAPK14EPHX2NR1H4DGAT2VNN1
SCHEMBL3578662 0.86 BACE1 (0.56) MAPK14DGAT2NPC1PPARAMAPT
SCHEMBL5177646 0.84 MAPK14 (0.53) HTR2CMAPK14EPHX2NR1H4LTA4H
SCHEMBL3584100 0.84 MAPK14 (0.53) HTR2CMAPK14EPHX2NR1H4LTA4H
SCHEMBL5175891 0.83 BACE1 (0.58) HTR2CMAPK14EPHX2NR1H4LTA4H
SCHEMBL5177429 0.82 MAPK14 (0.48) HTR2CMAPK14EPHX2LTA4HDGAT2
SCHEMBL934551 0.79 GLS (0.61) MAPK14EPHX2ROCK2ROCK1GLS
SCHEMBL3586612 0.79 LMNA (0.65) NPC1PPARASMN1; SMN2
SCHEMBL23652001 0.79 VNN1 (0.51) MAPK14DGAT2NLRP3VNN1ROCK2
SCHEMBL29605543 0.78 MMP13 (0.55) MAPK14DGAT2NPC1ROCK2CTSD

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