SCHEMBL3580876

SCHEMBL3580876

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.36
LPAR5 Q9H1C0 7/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
C5AR1 P21730 1/20 0.35
FABP2 P12104 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.34
PTGIR P43119 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
ATM Q13315 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CNR1 P21554 1/20 0.33
FPR2 P25090 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL3589192 0.89 PPARA (0.39) LPAR1LPAR5ALDH1A1PPARGPPARD
SCHEMBL3569038 0.85 LPAR1 (0.40) LPAR1LPAR5ALDH1A1GAAL3MBTL1
SCHEMBL3583039 0.85 CNR1 (0.43) C5AR1SMN1; SMN2ATMCNR1RCE1
SCHEMBL3577052 0.83 C5AR1 (0.37) LPAR1LPAR5ALDH1A1GAAL3MBTL1
SCHEMBL3583296 0.83 LPAR1 (0.52) LPAR1LPAR5C5AR1EPHX2RCE1
SCHEMBL3578978 0.82 CNR1 (0.43) LPAR1LPAR5C5AR1SMN1; SMN2EPHX2
SCHEMBL3576227 0.78 ALDH1A1 (0.37) LPAR1LPAR5ALDH1A1C5AR1SMN1; SMN2
SCHEMBL3572707 0.77 CCR9 (0.42) LPAR1LPAR5ALDH1A1GAAC5AR1
SCHEMBL3579938 0.77 MAPT (0.42) LPAR1LPAR5GAAL3MBTL1SMN1; SMN2
SCHEMBL3581545 0.75 CNR1 (0.40) LPAR1LPAR5PPARGPPARDPPARA

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