SCHEMBL10949738

SCHEMBL10949738

CC1=CC(=O)c2c(c(C)n3c2CCC3)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ BLM P54132 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CES1 P23141 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32

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
SCHEMBL10954844 0.94 MAPK1 (0.39) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10957000 0.79 KMT2A (0.45) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10949850 0.76 MAPK1 (0.44) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10950099 0.74 CSNK2B (0.43) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10952722 0.73 MAPK1 (0.44) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10950741 0.70 PTGS2 (0.46) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10954081 0.70 PTGS2 (0.46) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10952644 0.67 ALDH1A1 (0.48) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL9589194 0.62 ALDH1A1 (0.40) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15698060 0.60 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTKDM4EMEN1

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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