SCHEMBL27730488

SCHEMBL27730488

CN(C#N)c1cccc(Cl)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.35
KCNH2 Q12809 4/20 0.35
STAT3 P40763 2/20 0.35
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CNR1 P21554 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
SCN9A Q15858 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
SCHEMBL3586256 0.93 STAT3 (0.35) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL27730389 0.88 S1PR1 (0.37) KCNH2STAT3
SCHEMBL27750947 0.88 STAT3 (0.36) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL3576630 0.87 LPAR1 (0.37) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL27730487 0.87 CNR1 (0.35) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL3574440 0.85 STAT3 (0.36) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL3576381 0.84 STAT3 (0.38) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL27750943 0.84 CNR1 (0.40) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL3586258 0.83 CNR1 (0.34) SLC6A9KCNH2STAT3LPAR1LPAR5
SCHEMBL3581040 0.82 STAT3 (0.39) SLC6A9KCNH2STAT3LPAR1LPAR5

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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed