SCHEMBL17622348

SCHEMBL17622348

Cc1cc(-c2cc(C)c(N3C(=O)c4ccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)cc4C3=O)c(C)c2)cc(C)c1N1C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.44
▸ ANPEP P15144 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ DNMT1 P26358 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL19421883 0.86 CA9 (0.37) CA9CA12CA1CA2ANPEP
SCHEMBL17622352 0.86 CA9 (0.59) CA9CA12CA1CA2DNMT1
SCHEMBL17622349 0.86 CA9 (0.44) CA9CA12CA1CA2DNMT1
SCHEMBL19421896 0.85 CA9 (0.47) CA9CA12CA1CA2DNMT1
SCHEMBL17622350 0.85 CA9 (0.50) CA9CA12CA1CA2DNMT1
SCHEMBL19421897 0.85 CA9 (0.55) CA9CA12CA1CA2DNMT1
SCHEMBL17622169 0.83 ANPEP (0.45) CA9CA12CA1ANPEPDPP4
SCHEMBL17622347 0.81 CA9 (0.48) CA9CA12CA1CA2DNMT1
SCHEMBL19421898 0.81 CA9 (0.51) CA9CA12CA1CA2DNMT1
SCHEMBL17622321 0.80 DNMT1 (0.34) CA9CA12CA1DPP4DNMT1

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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