SCHEMBL9958121

SCHEMBL9958121

COc1cccc(CCN(Cc2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)c2cc(Cl)cc(N)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.43
LPAR5 Q9H1C0 3/20 0.43
TSHR P16473 2/20 0.40
SLC2A1 P11166 2/20 0.40
HTR5A P47898 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
AOC3 Q16853 1/20 0.37
KLK1 P06870 1/20 0.37
MEN1 O00255 2/20 0.36

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
SCHEMBL3576429 0.85 LPAR1 (0.43) LPAR1LPAR5TSHRSLC2A1HTR5A
SCHEMBL3571746 0.83 SLC2A1 (0.41) LPAR1LPAR5TSHRSLC2A1HTR5A
SCHEMBL3586145 0.78 CNR1 (0.42) LPAR1LPAR5SLC2A1LPAR2
SCHEMBL9957862 0.78 FFAR4 (0.43) SLC2A1KMT2AKLK1
SCHEMBL9958958 0.77 SLC2A1 (0.39) LPAR1LPAR5SLC2A1LPAR2
SCHEMBL3582130 0.76 CNR1 (0.40) LPAR1LPAR5SLC2A1HTR5A
SCHEMBL9957377 0.76 FFAR4 (0.41) SLC2A1KLK1
SCHEMBL9958528 0.75 F2 (0.39) LPAR1LPAR5SLC2A1
SCHEMBL9957250 0.75 S1PR1 (0.35) LPAR1LPAR5SLC2A1KMT2ATDP1
SCHEMBL3587845 0.75 LPAR1 (0.42) LPAR1LPAR5SLC2A1LPAR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed