SCHEMBL17622210

SCHEMBL17622210

Cc1cc(N2C(=O)c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3C2=O)ccc1-c1ccc(N2C(=O)c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc3C2=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ BRD1 O95696 2/20 0.37
▸ TAF1 P21675 2/20 0.37
▸ BRPF1 P55201 2/20 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
SCHEMBL17622187 0.89 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL19421870 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL17622215 0.87 KMT2A (0.44) MEN1KMT2AALDH1A1NPC1TSHR
SCHEMBL17622340 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL17622354 0.84 KDM4E (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL17622221 0.84 BRD1 (0.43) MEN1KMT2AALDH1A1ESR1BRD1
SCHEMBL19421876 0.82 PDE6D (0.42) MEN1KMT2AALDH1A1NPC1TSHR
SCHEMBL19421886 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL19421879 0.82 CA9 (0.47) MEN1KMT2AALDH1A1NPSR1NPC1
SCHEMBL17622190 0.81 ESR1 (0.44) MEN1KMT2AALDH1A1NPSR1NPC1

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 3 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
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 — — WO disclosed
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