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Sugi Predict / Compounds / SCHEMBL17622302

SCHEMBL17622302

SCHEMBL17622302

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c1C(=O)N(c1ccc(-c3ccc(N4C(=O)c5c(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c5C4=O)cc3)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.40
▸ DNMT1 P26358 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ PTGES O14684 2/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ SERPINE1 P05121 1/20 0.31
▸ CCR9 P51686 1/20 0.31

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
SCHEMBL17622295 0.96 CA9 (0.44) CA9CA12CA1CA2DNMT1
SCHEMBL17622278 0.88 CA9 (0.42) CA9CA12CA1CA2DNMT1
SCHEMBL17622344 0.86 CA9 (0.50) CA9CA12CA1CA2DNMT1
SCHEMBL19421873 0.86 PGR (0.37) CA9CA12CA1CA2DNMT1
SCHEMBL17622220 0.86 CA9 (0.41) CA9CA12CA1CA2DNMT1
SCHEMBL17622213 0.86 DPP8 (0.36) CA9CA12CA1CA2DNMT1
SCHEMBL19842613 0.85 PDE6D (0.44) CA9CA12CA1CA2DNMT1
SCHEMBL17622212 0.85 CA9 (0.41) CA9CA12CA1CA2DNMT1
SCHEMBL17622209 0.84 TP53 (0.42) DNMT1PGRRORARORCRORB
SCHEMBL17622291 0.83 CA9 (0.44) CA9CA12CA1CA2DNMT1

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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