SCHEMBL18272226

SCHEMBL18272226

Cc1c(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4S)c3C)c2)cccc1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 13/20 0.41
▸ PDCD1 Q15116 11/20 0.41
▸ KDM4E B2RXH2 1/20 0.33
▸ CRHR1 P34998 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL17577451 0.99 CD274 (0.41) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL17470636 0.99 CD274 (0.41) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL17470606 0.98 CD274 (0.42) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL16135202 0.97 CD274 (0.41) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL17470548 0.97 CD274 (0.41) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL17057300 0.96 CD274 (0.37) CD274PDCD1CA12CA9
SCHEMBL17057318 0.96 CD274 (0.37) CD274PDCD1CA12CA9
SCHEMBL16135029 0.95 CD274 (0.38) CD274PDCD1KDM4EHSD17B1HSD17B2
SCHEMBL17263359 0.93 CD274 (0.37) CD274PDCD1KDM4ECRHR1CA12
SCHEMBL18022589 0.91 ALOX5 (0.38) CD274PDCD1CYP1A2

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
US-20160351812-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-12-01 — — US disclosed
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