SCHEMBL17622347

SCHEMBL17622347

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)C(=O)N(c1ccccc1N1C(=O)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3C1=O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.47
▸ NR1H3 Q13133 2/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ DNMT1 P26358 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL17622352 0.89 CA9 (0.59) CA9CA12CA1CA2DNMT1
SCHEMBL19421896 0.89 CA9 (0.47) CA9CA12CA1CA2NR1H3
SCHEMBL19421898 0.87 CA9 (0.51) CA9CA12CA1CA2DNMT1
SCHEMBL19421897 0.86 CA9 (0.55) CA9CA12CA1CA2DNMT1
SCHEMBL17622349 0.84 CA9 (0.44) CA9CA12CA1CA2NR1H3
SCHEMBL17622350 0.84 CA9 (0.50) CA9CA12CA1CA2DNMT1
SCHEMBL17622355 0.83 CA9 (0.45) CA9CA12CA1CA2NR1H3
SCHEMBL17622346 0.82 PGR (0.42) CA9CA12CA1CA2NR1H3
SCHEMBL17622179 0.82 POLB (0.46) CA12ALDH1A1L3MBTL1ESR1ESR2
SCHEMBL17622348 0.81 CA9 (0.45) 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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