SCHEMBL3576429

SCHEMBL3576429

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(OC)c1)Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.43
LPAR5 Q9H1C0 3/20 0.43
SLC2A1 P11166 4/20 0.41
HTR5A P47898 1/20 0.41
LPAR2 Q9HBW0 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
C5AR1 P21730 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3586145 0.93 CNR1 (0.42) LPAR1LPAR5SLC2A1LPAR2CNR1
SCHEMBL3586185 0.89 LMNA (0.43) LPAR1LPAR5SLC2A1MEN1KMT2A
SCHEMBL3571491 0.88 C5AR1 (0.42) LPAR1LPAR5LPAR2LMNAGAA
SCHEMBL3571746 0.86 SLC2A1 (0.41) LPAR1LPAR5SLC2A1HTR5AMEN1
SCHEMBL3586383 0.85 NLRP3 (0.39) LPAR1LPAR5SLC2A1LPAR2KMT2A
SCHEMBL3571528 0.85 TP53 (0.41) LPAR1LPAR5LPAR2MEN1KMT2A
SCHEMBL9958121 0.85 LPAR1 (0.43) LPAR1LPAR5SLC2A1HTR5ALPAR2
SCHEMBL3579684 0.84 CNR1 (0.40) LPAR1LPAR5SLC2A1CNR1LMNA
SCHEMBL3569982 0.83 LPAR1 (0.41) LPAR1LPAR5SLC2A1LPAR2TSHR
SCHEMBL3577812 0.82 LPAR1 (0.43) LPAR1LPAR5SLC2A1LPAR2CNR1

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