SCHEMBL20573262

SCHEMBL20573262

COc1cc(Cl)cc(-c2cc(F)ccc2OC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.42
ERN1 O75460 1/20 0.41
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
SLC9A1 P19634 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
APP P05067 1/20 0.36
PIN1 Q13526 1/20 0.36
BACE1 P56817 1/20 0.36
CHRM3 P20309 2/20 0.36
LRRK2 Q5S007 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL20573157 0.91 ERN1 (0.45) ERN1SLC9A1FFAR4PIN1BACE1
SCHEMBL20573325 0.88 APP (0.42) CTSAERN1RORCRORBSLC9A1
SCHEMBL17797027 0.83 CHRM3 (0.41) CTSAERN1SLC9A1APPCHRM3
SCHEMBL20573252 0.83 CTSA (0.43) CTSARORCRORBSLC9A1BACE1
SCHEMBL20573247 0.80 SCN9A (0.47) FFAR4CHRM3
SCHEMBL20573324 0.79 PDE4D (0.45) RORCRORBSLC9A1CHRM3
SCHEMBL17796967 0.79 CHRM3 (0.38) CTSAERN1SLC9A1PIN1CHRM3
SCHEMBL20573165 0.79 ERN1 (0.49) ERN1SLC9A1FFAR4LRRK2PTGS2
SCHEMBL17797023 0.78 ERN1 (0.40) CTSAERN1SLC9A1FFAR4CHRM3
SCHEMBL20573163 0.78 CTSA (0.44) CTSAERN1SLC9A1BACE1

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