SCHEMBL9404759

SCHEMBL9404759

Oc1cc(O)c2c(c1)C[N]C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
HSP90AA1 P07900 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
NQO1 P15559 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
BACE1 P56817 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6232296 0.78 SELL (0.41)
SCHEMBL30305680 0.65 BCL2L1 (0.45) DYRK1AHSP90AA1PDK1PDK2PDK3
SCHEMBL3675894 0.65 BCL2L1 (0.50) DYRK1AHSP90AA1PDK1PDK2PDK3
SCHEMBL9404792 0.64 DRD2 (0.33) CA1CA2CA6TDP1
SCHEMBL7855072 0.61 FYN (0.56) DYRK1ACA1CA2BACE1
SCHEMBL11725343 0.60 ADCY6 (0.43) DYRK1A
SCHEMBL11881446 0.59 HPGD (0.59) HSP90AA1NQO1CA1BACE1TDP1
SCHEMBL12191968 0.58 DRD1 (0.49) CA1CA2CA4CA6
SCHEMBL3245289 0.57 DRD2 (0.44) HSP90AA1
SCHEMBL67497 0.55 BACE1 (0.54) NQO1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313081-B1 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMA CO LTD (JP) 1994-02-02 EP disclosed
US-4950662-A ANTIBIOTIC OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-21 US disclosed
EP-0313081-A2 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed