SCHEMBL10954036

SCHEMBL10954036

COC1=C(C)C(=O)c2c(c(C)n(C)c2-c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.42
▸ CDC25A P30304 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRG2 P18507 3/20 0.36
▸ GABRB3 P28472 3/20 0.36
▸ GABRA3 P34903 3/20 0.36
▸ GABRA2 P47869 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34

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
SCHEMBL10951269 1.00 PDE4B (0.42) PDE4BCDC25ACDC25BMAPTALDH1A1
SCHEMBL10949178 0.81 MAOB (0.44) MAPTALDH1A1NPSR1MITFHTT
SCHEMBL10952060 0.74 MAPT (0.41) CDC25ACDC25BMAPTALDH1A1NPSR1
SCHEMBL10954064 0.74 MAPT (0.41) CDC25ACDC25BMAPTALDH1A1NPSR1
SCHEMBL10946120 0.72 KMT2A (0.50) PDE4BCDC25ACDC25BMAPTALDH1A1
SCHEMBL20207728 0.68 MAPT (0.43) MAPTALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL18701282 0.68 MAPT (0.39) MAPTALDH1A1HTTKDM4ESMN1; SMN2
Mimosamycin SCHEMBL29884075 0.67 CDC25A (0.46) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL10952676 0.67 ALDH1A1 (0.43) CDC25ACDC25BMAPTALDH1A1NPSR1
SCHEMBL11429710 0.65 LMNA (0.58) MAPTALDH1A1HTTKDM4ESMN1; SMN2

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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