SCHEMBL10728826

SCHEMBL10728826

CCCCCCc1ccc(Nc2cccc3c2C(=O)c2cccc(O)c2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.53
▸ CTSG P08311 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PLK1 P53350 2/20 0.47
▸ PLK3 Q9H4B4 1/20 0.47
▸ MAOA P21397 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ KAT5 Q92993 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ UNG P13051 3/20 0.43
▸ CA12 O43570 1/20 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
SCHEMBL9308563 0.92 MAPT (0.48) ELANECTSGLMNAMEN1NPC1
SCHEMBL28435986 0.89 MEN1 (0.60) ELANECTSGLMNAMEN1NPC1
SCHEMBL21061977 0.89 MAPT (0.50) ELANECTSGLMNAMEN1NPC1
SCHEMBL31150829 0.89 UNG (0.47) ELANECTSGLMNAMEN1NPC1
SCHEMBL15603989 0.88 MAPT (0.51) ELANECTSGLMNAMEN1NPC1
SCHEMBL9309180 0.88 MAPT (0.49) LMNAMEN1NPC1MAPTMAPK1
SCHEMBL1476567 0.84 MAPT (0.52) ELANECTSGLMNAMEN1NPC1
SCHEMBL10727142 0.84 MAPT (0.52) LMNAMEN1NPC1MAPTMAPK1
SCHEMBL12724013 0.83 NPC1 (0.55) ELANECTSGLMNAMEN1NPC1
SCHEMBL14489853 0.83 NPC1 (0.60) LMNAMEN1NPC1MAPTMAPK1

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
US-4702561-A AMINOANTHRAQUINONE BISANIL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-10-27 — — US claimed
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