SCHEMBL3586256

SCHEMBL3586256

CN(C#N)c1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.35
SLC6A9 P48067 5/20 0.34
KCNH2 Q12809 4/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
CNR1 P21554 1/20 0.33
SMYD2 Q9NRG4 2/20 0.33
SCN9A Q15858 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL27730488 0.93 SLC6A9 (0.35) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3580975 0.89 S1PR1 (0.34) STAT3KCNH2
SCHEMBL3586258 0.88 CNR1 (0.34) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3576630 0.87 LPAR1 (0.37) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL27750947 0.85 STAT3 (0.36) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3581035 0.85 CNR1 (0.39) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3576381 0.85 STAT3 (0.38) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3574440 0.84 STAT3 (0.36) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL3571214 0.84 CNR1 (0.38) STAT3SLC6A9KCNH2LPAR1LPAR5
SCHEMBL27730487 0.83 CNR1 (0.35) STAT3SLC6A9KCNH2LPAR1LPAR5

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