SCHEMBL8434864

SCHEMBL8434864

COC1=C(C)C(=O)c2cn(C)cc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.61
▸ CDC25B P30305 3/20 0.61
▸ MAPT P10636 8/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ POLB P06746 6/20 0.45
▸ LMNA P02545 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MAP2K7 O14733 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL600128 0.80 CDC25A (0.52) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL30002742 0.76 CDC25B (1.00) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL3414838 0.76 CDC25B (1.00) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL9627431 0.74 CDC25A (0.65) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL9655485 0.74 CDC25A (0.64) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL12592463 0.69 CDC25A (0.58) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL5590298 0.69 CDC25A (0.56) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL9629285 0.68 MAOA (0.70) CDC25ACDC25BMAPTALDH1A1KDM4E
Mimosamycin SCHEMBL29884075 0.67 CDC25A (0.46) CDC25ACDC25BMAPTALDH1A1KDM4E
SCHEMBL14398053 0.67 CDC25B (0.83) CDC25ACDC25BMAPTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889185-A Method of synthesizing isoindolequinones and derivatives thereof THE UNIVERSITY OF AKRON (US) 1999-03-30 — — US disclosed
WO-1998046567-A1 METHOD OF SYNTHESIZING ISOINDOLEQUINONES AND DERIVATIVES THEREOF THE UNIVERSITY OF AKRON (US) 1998-10-22 — — WO disclosed
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