SCHEMBL28440785

SCHEMBL28440785

CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(Br)cc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ PTPRC P08575 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ XBP1 P17861 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP2 O95551 2/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PTBP1 P26599 1/20 0.40
▸ GALK1 P51570 1/20 0.40
▸ BLM P54132 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
SCHEMBL29664880 0.91 PDK2 (0.44) SLC6A3MAPK1PDK2ALDH1A1
SCHEMBL1753743 0.91 PDK2 (0.44) SLC6A3MAPK1PDK2ALDH1A1
SCHEMBL22797541 0.89 NPC1 (0.51) MAOBMEN1NPC1KMT2AL3MBTL1
SCHEMBL14702110 0.89 PDK2 (0.42) MEN1NPC1KMT2AL3MBTL1LMNA
SCHEMBL15678831 0.88 PDK2 (0.42) SLC6A3MAPK1PDK2ALDH1A1
SCHEMBL19319677 0.87 PTPRC (0.50) PTPRCL3MBTL1MAPTTDP1MAPK1
SCHEMBL19849935 0.86 PDK2 (0.44) TDP2SLC6A3MAPK1PDK2PGR
SCHEMBL15678826 0.85 PDK2 (0.47) MEN1NPC1KMT2AL3MBTL1LMNA
SCHEMBL12177677 0.85 MEN1 (0.47) MAOBMEN1NPC1KMT2AL3MBTL1
SCHEMBL19849936 0.85 PDK2 (0.47) MEN1NPC1KMT2AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467497-B Compound with anthrone as core and application thereof in O L ED device 中节能万润股份有限公司 2020-07-21 — — CN disclosed
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