SCHEMBL10949125

SCHEMBL10949125

CC1=CC(=O)c2cn(C)c(-c3ccccc3)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ BLM P54132 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CDC25B P30305 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HSPD1 P10809 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CDC25A P30304 2/20 0.50
▸ HSPE1 P61604 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TST Q16762 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ IDO1 P14902 2/20 0.50

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
SCHEMBL10953004 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10949854 0.78 BRD4 (0.46) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL10952676 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10952060 0.74 MAPT (0.41) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL10954064 0.74 MAPT (0.41) ALDH1A1MAPTMEN1MAPK1BLM
Menadione SCHEMBL1364028 0.68 MAPT (1.00) ALDH1A1MAPTMEN1MAPK1BLM
Menadione SCHEMBL29351164 0.68 MAPT (1.00) ALDH1A1MAPTMEN1MAPK1BLM
Menadione SCHEMBL25970 0.68 MAPT (1.00) ALDH1A1MAPTMEN1MAPK1BLM
Menadione SCHEMBL19356853 0.68 MAPT (1.00) ALDH1A1MAPTMEN1MAPK1BLM
SCHEMBL9627878 0.68 MAPT (0.61) 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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