SCHEMBL12266830

SCHEMBL12266830

C=S(C)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.84

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
SCHEMBL2550020 0.92 NEK1 (1.00) NEK1
SCHEMBL12279178 0.84 NEK1 (0.85) NEK1
SCHEMBL2549096 0.84 NEK1 (0.81) NEK1
SCHEMBL2547076 0.81 NEK1 (0.76) NEK1
SCHEMBL2551180 0.81 NEK1 (0.76) NEK1
SCHEMBL15096643 0.81 NEK1 (0.70) NEK1
SCHEMBL2568134 0.80 NEK1 (1.00) NEK1
SCHEMBL2553710 0.80 NEK1 (0.85) NEK1
SCHEMBL2551870 0.80 NEK1 (1.00) NEK1
SCHEMBL12281778 0.80 NEK1 (1.00) NEK1

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
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed