SCHEMBL3574440

SCHEMBL3574440

CN(C#N)c1c(Cl)cc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
SCN9A Q15858 2/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A9 P48067 4/20 0.34
KCNH2 Q12809 3/20 0.34
EPHX2 P34913 1/20 0.34
CHRM4 P08173 3/20 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
SCHEMBL27750947 0.93 STAT3 (0.36) STAT3LPAR1LPAR5CNR1SLC6A9
SCHEMBL3576630 0.89 LPAR1 (0.37) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3574442 0.86 SCN9A (0.37) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3576381 0.86 STAT3 (0.38) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3575613 0.86 SCN9A (0.39) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL27730488 0.85 SLC6A9 (0.35) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3586256 0.84 STAT3 (0.35) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3576581 0.84 SCN9A (0.39) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3584158 0.84 SCN9A (0.38) STAT3SCN9ALPAR1LPAR5CNR1
SCHEMBL3576631 0.82 CNR1 (0.38) STAT3SCN9ALPAR1LPAR5CNR1

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