SCHEMBL3589192

SCHEMBL3589192

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.39
PPARD Q03181 4/20 0.39
PPARG P37231 3/20 0.39
ALDH1A1 P00352 2/20 0.39
FABP2 P12104 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LPAR1 Q92633 5/20 0.39
LPAR5 Q9H1C0 5/20 0.39
C5AR1 P21730 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
OPRK1 P41145 1/20 0.35
RCE1 Q9Y256 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3580876 0.89 LPAR1 (0.36) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL3578978 0.87 CNR1 (0.43) SMN1; SMN2LPAR1LPAR5C5AR1RCE1
SCHEMBL3583296 0.86 LPAR1 (0.52) LPAR1LPAR5C5AR1RCE1
SCHEMBL3577662 0.84 LPAR1 (0.43) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL3583039 0.84 CNR1 (0.43) SMN1; SMN2C5AR1RCE1
SCHEMBL3577052 0.83 C5AR1 (0.37) ALDH1A1SMN1; SMN2LPAR1LPAR5C5AR1
SCHEMBL3576227 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LPAR1LPAR5C5AR1
SCHEMBL3579938 0.80 MAPT (0.42) SMN1; SMN2LPAR1LPAR5KDM4ERCE1
SCHEMBL3577563 0.79 NLRP3 (0.42) PPARAPPARDPPARGALDH1A1LPAR1
SCHEMBL3574141 0.77 LPAR1 (0.41) PPARAPPARDPPARGALDH1A1FABP2

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