SCHEMBL3581034

SCHEMBL3581034

CC(=O)Nc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
MEP1B Q16820 1/20 0.35
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1H O95180 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK14 Q16539 1/20 0.33
TP53 P04637 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
SCHEMBL3574035 0.92 MEP1B (0.36) LPAR1LPAR5MEP1BPPARGPPARD
SCHEMBL3582291 0.87 MCL1 (0.39) SLC2A1LMNA
SCHEMBL3574865 0.87 LPAR1 (0.38) LPAR1LPAR5MEP1BPPARGPPARD
SCHEMBL3581545 0.84 CNR1 (0.40) LPAR1LPAR5PPARGPPARDPPARA
SCHEMBL3571214 0.81 CNR1 (0.38) LPAR1LPAR5
SCHEMBL3576028 0.80 MCL1 (0.39) MAPK14SLC2A1LMNA
SCHEMBL3569982 0.80 LPAR1 (0.41) LPAR1LPAR5MEP1BPPARGALDH1A1
SCHEMBL3577275 0.80 MCL1 (0.39) SLC2A1LMNA
SCHEMBL3578417 0.79 MCL1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL3574236 0.78 LMNA (0.40) NPSR1MAPTLMNA

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