SCHEMBL10952644

SCHEMBL10952644

CC1=CC(=O)c2c(c(C)n(C)c2C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ BLM P54132 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ USP2 O75604 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TXNRD1 Q16881 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL10952060 0.77 MAPT (0.41) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10954064 0.77 MAPT (0.41) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL15698060 0.75 ALDH1A1 (0.54) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10952676 0.69 ALDH1A1 (0.43) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL13668567 0.68 ALDH1A1 (0.57) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10954844 0.67 MAPK1 (0.39) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10949738 0.67 MAPK1 (0.39) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL3624714 0.66 ALDH1A1 (0.50) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10409133 0.65 MAPT (1.00) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL13542836 0.64 ALDH1A1 (0.47) ALDH1A1MAPTMEN1MAPK1BLM

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-4494547-A 2H-isoindolediones, their synthesis and use as radiosensitizers NORTH CAROLINA CENTRAL UNIVERSITY (US) 1985-01-22 — — US disclosed
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