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SCHEMBL17622249

SCHEMBL17622249

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(c1cccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)c1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.40
▸ CCR9 P51686 1/20 0.40
▸ DNMT1 P26358 3/20 0.39
▸ HSPA1A P0DMV8 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ CA9 Q16790 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL17622291 0.94 CA9 (0.44) CCR9DNMT1HSPA1APABPC1CA9
SCHEMBL23476404 0.91 TYMS (0.41) TYMSCCR9DNMT1HSPA1APABPC1
SCHEMBL17622278 0.91 CA9 (0.42) TYMSCCR9DNMT1HSPA1APABPC1
SCHEMBL19421869 0.90 NR1H3 (0.44) TYMSCCR9DNMT1HSPA1APABPC1
SCHEMBL19421873 0.90 PGR (0.37) CCR9DNMT1CA9CA12CA1
SCHEMBL19421868 0.90 MEN1 (0.41) TYMSCA9CA12CA1CA2
SCHEMBL17622248 0.89 ADORA2A (0.39) TYMSCCR9DNMT1HSPA1APABPC1
SCHEMBL19842400 0.88 TYMS (0.39) TYMSCCR9DNMT1HSPA1APABPC1
SCHEMBL19842613 0.88 PDE6D (0.44) TYMSDNMT1HSPA1APABPC1CA9
SCHEMBL17622280 0.87 CA9 (0.44) DNMT1CA9CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246373-A1 ORGANIC MOLECULES FOR USE AS EMITTERS cynora GmbH (DE) 2017-11-22 — — EP disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 — — US disclosed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 — — US disclosed
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 — — WO disclosed
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