SCHEMBL3586258

SCHEMBL3586258

N#CCNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
STAT3 P40763 2/20 0.34
SLC6A9 P48067 5/20 0.34
KCNH2 Q12809 4/20 0.34
SCN9A Q15858 1/20 0.34
DHODH Q02127 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL27730487 0.93 CNR1 (0.35) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3581035 0.92 CNR1 (0.39) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3571214 0.89 CNR1 (0.38) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3580976 0.89 MCL1 (0.35) UBE2MDCUN1D1
SCHEMBL3576631 0.88 CNR1 (0.38) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3586256 0.88 STAT3 (0.35) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL27750945 0.85 STAT3 (0.36) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3576382 0.85 STAT3 (0.38) CNR1STAT3SCN9ADHODHLPAR1
SCHEMBL27750943 0.84 CNR1 (0.40) CNR1STAT3SLC6A9KCNH2SCN9A
SCHEMBL3574442 0.84 SCN9A (0.37) CNR1STAT3SLC6A9KCNH2SCN9A

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