SCHEMBL17622326

SCHEMBL17622326

CN1C(=O)c2cc(N3CCc4ccccc43)c(N3CCc4ccccc43)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ BRCA1 P38398 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SRD5A1 P18405 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GSK3B P49841 4/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL17622337 0.81 ALOX15 (0.46) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL20019732 0.78 TSHR (0.43) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL17622338 0.78 ALOX15 (0.48) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL12059599 0.71 NR1H2 (0.59) ALDH1A1KMT2ASRD5A1NPC1RAB9A
SCHEMBL25026229 0.71 ALDH1A1 (0.55) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL20685522 0.70 TSHR (0.41) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL20267338 0.70 GSK3B (0.55) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL8938754 0.69 LMNA (0.53) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL15138012 0.68 MAPK1 (0.45) TSHRALOX15BRCA1ALDH1A1MEN1
SCHEMBL19888238 0.68 ALDH1A1 (0.48) TSHRALOX15BRCA1ALDH1A1MEN1

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-3246373-B1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2019-01-30 — — 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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