SCHEMBL23078435

SCHEMBL23078435

COc1cccc(-c2cccc(COc3cc(O)c(C=O)cc3Cl)c2F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.43
▸ CD274 Q9NZQ7 8/20 0.42
▸ PDCD1 Q15116 5/20 0.42
▸ TRIM24 O15164 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 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
SCHEMBL23078761 0.88 CD274 (0.50) CD274PDCD1MRGPRX4
SCHEMBL23078654 0.86 PDCD1 (0.43) CD274PDCD1MRGPRX4
SCHEMBL23078807 0.86 PDCD1 (0.42) ERN1CD274PDCD1MRGPRX4
SCHEMBL23078657 0.84 PDCD1 (0.44) CD274PDCD1MRGPRX4
SCHEMBL22757792 0.82 CD274 (0.52) ERN1CD274PDCD1TDP1
SCHEMBL23078496 0.80 CD274 (0.48) CD274PDCD1MRGPRX4
SCHEMBL23078779 0.80 PDCD1 (0.51) CD274PDCD1
SCHEMBL18728442 0.79 CD274 (0.51) ERN1CD274PDCD1
SCHEMBL28999576 0.79 MRGPRX4 (0.42) CD274PDCD1MRGPRX4MAPT
SCHEMBL23078432 0.79 MRGPRX4 (0.45) CD274PDCD1MRGPRX4MAPT

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
WO-2021043116-A1 BIPHENYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-03-11 — — WO disclosed
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