SCHEMBL9826468

SCHEMBL9826468

COc1cc2cnccc2c(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.75
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
BRAF P15056 3/20 0.44
HASPIN Q8TF76 1/20 0.43
CYP3A4 P08684 3/20 0.42
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GAA P10253 1/20 0.41
GAK O14976 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL3238849 0.89 MAOA (0.60) MAOAPDGFRBPDGFRABRAFHASPIN
SCHEMBL3247027 0.86 MAOA (1.00) MAOAPDGFRBPDGFRABRAFCYP3A4
SCHEMBL27612510 0.81 MAOA (0.51) MAOAPDGFRBPDGFRABRAFCYP3A4
SCHEMBL9828002 0.80 MAOA (0.53) MAOABRAFCYP3A4
SCHEMBL9827578 0.80 MAOA (0.50) MAOACYP3A4CLK1CLK2CLK3
SCHEMBL9826930 0.79 MAOA (0.49) MAOAHASPINCYP3A4CLK1CLK2
SCHEMBL9827614 0.77 MAOA (0.53) MAOAPDGFRBPDGFRAHASPINCYP3A4
SCHEMBL15495283 0.77 MAOA (0.78) MAOAPDGFRBPDGFRABRAFCYP3A4
SCHEMBL9827598 0.76 MAOA (0.62) MAOAPDGFRBPDGFRABRAFCYP3A4
SCHEMBL9827975 0.76 MAOA (0.62) MAOAPDGFRBPDGFRABRAFCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed