SCHEMBL17622337

SCHEMBL17622337

CN1C(=O)c2c(N3CCc4ccccc43)cc(N3CCc4ccccc43)c(N3CCc4ccccc43)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ SRD5A1 P18405 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 3/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ CDK4 P11802 1/20 0.37

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
SCHEMBL17622338 0.87 ALOX15 (0.48) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL17622326 0.81 TSHR (0.55) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL20685522 0.78 TSHR (0.41) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL5715497 0.68 ALDH1A1 (0.53) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL30874673 0.67 ALDH1A1 (0.52) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL25026229 0.66 ALDH1A1 (0.55) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL20019732 0.65 TSHR (0.43) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL5715940 0.64 ALDH1A1 (0.46) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL8938754 0.64 LMNA (0.53) ALOX15TSHRBRCA1SRD5A1ALDH1A1
SCHEMBL29652020 0.63 GSK3B (0.50) ALOX15SRD5A1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651394-B2 Organic molecules for use as emitters CYNORA GMBH (DE) 2020-05-12 — — US disclosed
EP-3137574-B1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2018-04-04 — — EP disclosed
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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