SCHEMBL10951911

SCHEMBL10951911

CC1=CC(=O)c2c(c3n(c2-c2ccccc2)CCC3)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ ALOX5 P09917 9/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL10957000 0.95 KMT2A (0.45) KMT2AMEN1KDM4EALOX5ALDH1A1
SCHEMBL10948857 0.79 CSNK2B (0.48) KMT2AMEN1KDM4EALOX5LMNA
SCHEMBL10954844 0.79 MAPK1 (0.39) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10946120 0.78 KMT2A (0.50) KMT2AMEN1KDM4EALOX5ALDH1A1
SCHEMBL10954542 0.78 KMT2A (0.50) KMT2AMEN1KDM4EALOX5ALDH1A1
SCHEMBL10949738 0.76 MAPK1 (0.39) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10952676 0.74 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10954064 0.72 MAPT (0.41) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10952060 0.69 MAPT (0.41) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL10952722 0.68 MAPK1 (0.44) KMT2AMEN1KDM4EALOX5ALDH1A1

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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