SCHEMBL10952676

SCHEMBL10952676

CC1=CC(=O)c2c(c(-c3ccccc3)n(C)c2-c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 6/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ BLM P54132 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL10954064 0.90 MAPT (0.41) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL10952060 0.90 MAPT (0.41) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL10951025 0.79 TSHR (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL10948475 0.79 TSHR (0.45) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL10953004 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL10949125 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL10951911 0.74 KMT2A (0.45) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL10957000 0.74 KMT2A (0.45) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL18701258 0.71 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL10949178 0.71 MAOB (0.44) ALDH1A1MAPTMAPK1KMT2AKDM4E

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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