SCHEMBL21622945

SCHEMBL21622945

COc1cc(/C(F)=C/c2cccc(-c3cccc(/C=C(\F)c4ccc(CNCCO)c(OC)c4)c3C)c2C)ccc1CNCCO

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.53
▸ PDCD1 Q15116 13/20 0.53
▸ PDCD1LG2 Q9BQ51 6/20 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
SCHEMBL21622946 0.87 CD274 (0.60) CD274PDCD1PDCD1LG2
SCHEMBL21622992 0.85 PDCD1 (0.75) CD274PDCD1
SCHEMBL21623041 0.84 CD274 (0.66) CD274PDCD1PDCD1LG2
SCHEMBL21622896 0.83 PDCD1 (0.61) CD274PDCD1
SCHEMBL21623013 0.83 PDCD1 (0.67) CD274PDCD1
SCHEMBL28473503 0.82 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL21623121 0.82 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL26555409 0.81 CD274 (0.56) CD274PDCD1
SCHEMBL28469670 0.81 CD274 (0.48) CD274PDCD1
SCHEMBL30340342 0.81 PDCD1 (0.50) CD274PDCD1

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-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
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