SCHEMBL20573268

SCHEMBL20573268

NC(=O)Oc1ccc(F)cc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
SCN9A Q15858 1/20 0.40
FFAR4 Q5NUL3 4/20 0.40
GRM2 Q14416 3/20 0.39
MAP4K4 O95819 2/20 0.39
PTGS1 P23219 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ERN1 O75460 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC9A1 P19634 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SYK P43405 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL20573247 0.91 SCN9A (0.47) SCN9AFFAR4MAP4K4
SCHEMBL17796980 0.90 PTGDR2 (0.43) FFAR4GRM2
SCHEMBL17797023 0.88 ERN1 (0.40) FFAR4ERN1SLC9A1LRRK2
SCHEMBL20573261 0.87 BCL9 (0.44) BCL9CTNNB1SCN9ASLC9A1LRRK2
SCHEMBL20573165 0.86 ERN1 (0.49) FFAR4ERN1SLC9A1LRRK2CHEK2
SCHEMBL17797025 0.85 PARP1 (0.42) SCN9ASLC9A1PLK4DAPK3CHEK2
SCHEMBL20573251 0.85 CHRM3 (0.42) SCN9A
SCHEMBL17797016 0.85 KIF11 (0.51) SCN9A
SCHEMBL4971993 0.84 TUBB4A (0.36) BCL9CTNNB1SCN9AFFAR4ERN1
SCHEMBL20573270 0.84 SLC6A4 (0.50) GRM2PTGS1SLC6A4SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed