SCHEMBL3576381

SCHEMBL3576381

CN(C#N)c1ccc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
SCN9A Q15858 4/20 0.37
LPAR1 Q92633 4/20 0.36
LPAR5 Q9H1C0 2/20 0.36
CNR1 P21554 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3576630 0.97 LPAR1 (0.37) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3581173 0.89 CCR1 (0.37) STAT3LPAR1CNR1LPAR2KCNH2
SCHEMBL3576382 0.86 STAT3 (0.38) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3574440 0.86 STAT3 (0.36) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3577794 0.86 LMNA (0.37) STAT3LPAR1LPAR5CNR1KCNH2
SCHEMBL3583070 0.85 SCN9A (0.40) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3581285 0.85 LPAR1 (0.36) SCN9ALPAR1LPAR5CNR1LPAR2
SCHEMBL3586256 0.85 STAT3 (0.35) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL27730488 0.84 SLC6A9 (0.35) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL27750947 0.84 STAT3 (0.36) STAT3LPAR1LPAR5CNR1SLC6A9

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 4 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
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