SCHEMBL20573165

SCHEMBL20573165

COc1ccc(-c2cc(F)ccc2OC(N)=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
RELA Q04206 1/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
SLC9A1 P19634 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS2 P35354 2/20 0.47
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL20573268 0.86 BCL9 (0.40) ERN1MAPK1SLC9A1LRRK2FFAR4
SCHEMBL20573157 0.84 ERN1 (0.45) ERN1MAPTSLC9A1PTGS2LRRK2
SCHEMBL20573261 0.84 BCL9 (0.44) SLC9A1LRRK2
SCHEMBL17797025 0.82 PARP1 (0.42) RELAMAPK1SLC9A1MEN1KMT2A
SCHEMBL17797023 0.81 ERN1 (0.40) ERN1SLC9A1MEN1KMT2ALRRK2
SCHEMBL20573251 0.81 CHRM3 (0.42) CYP3A4CYP2C19CYP2C9AHR
SCHEMBL20573273 0.81 ERN1 (0.41) ERN1MAPTSLC9A1CYP1A2CYP3A4
SCHEMBL20573247 0.81 SCN9A (0.47) FFAR4
SCHEMBL17796980 0.80 PTGDR2 (0.43) MAPTFFAR4
SCHEMBL20573249 0.80 CHRM3 (0.42) MAPTSLC9A1NPC1RAB9ASMN1; SMN2

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