SCHEMBL4732264

SCHEMBL4732264

CC1(C)Cc2[nH]c(=O)[nH]c(=O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.35
▸ ALPL P05186 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RUNX1 Q01196 1/20 0.32
▸ CBFB Q13951 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SPR P35270 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PARP1 P09874 2/20 0.31
▸ PARP2 Q9UGN5 2/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL31067234 0.66 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1MAPK1
SCHEMBL18711692 0.63 SPR (0.48) ALDH1A1ALPLHIF1ASPRMEN1
SCHEMBL10280073 0.62 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL3109830 0.62 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL31233784 0.62 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EPARP1SLC6A5
SCHEMBL1621750 0.62 ALDH1A1 (0.91) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL23976051 0.61 ALDH1A1 (0.39) ALDH1A1MAPTPARP1TNKS2
SCHEMBL1834695 0.61 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EGLAGAA
SCHEMBL15847335 0.61 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL2725109 0.61 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGD

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
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 — — WO disclosed
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