SCHEMBL9623048

SCHEMBL9623048

C=C(C)c1cc2cc(OC)ccc2s1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 18/20 0.60
DYRK1A Q13627 5/20 0.60
DYRK1B Q9Y463 1/20 0.60
BACE1 P56817 1/20 0.56
CLK2 P49760 4/20 0.50
CLK4 Q9HAZ1 2/20 0.50
CA2 P00918 1/20 0.49

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
SCHEMBL8599424 0.87 CA2 (0.49) CLK1DYRK1ADYRK1BBACE1CA2
SCHEMBL1867721 0.80 CLK1 (0.68) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL13709491 0.79 F9 (0.65) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL2138351 0.79 CLK1 (0.67) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL19756734 0.79 CLK1 (0.67) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL7340422 0.79 CLK1 (0.67) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL5546367 0.75 BACE1 (0.62) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL10238993 0.75 CLK1 (1.00) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL4580171 0.74 BACE1 (0.67) CLK1DYRK1ADYRK1BBACE1CLK2
SCHEMBL1391285 0.74 CLK1 (0.60) CLK1DYRK1ADYRK1BCLK2CLK4

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-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed