SCHEMBL12279178

SCHEMBL12279178

C=S(C)(=O)NC(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.85

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
SCHEMBL15092208 0.92 NEK1 (1.00) NEK1
SCHEMBL12277640 0.92 NEK1 (1.00) NEK1
SCHEMBL12281778 0.92 NEK1 (1.00) NEK1
SCHEMBL16918871 0.91 NEK1 (0.87) NEK1
SCHEMBL2547534 0.87 NEK1 (1.00) NEK1
SCHEMBL15092540 0.87 NEK1 (1.00) NEK1
SCHEMBL15092214 0.87 NEK1 (1.00) NEK1
Hydrochloric Acid SCHEMBL15095030 0.86 NEK1 (0.98) NEK1
Hydrochloric Acid SCHEMBL15092303 0.86 NEK1 (0.98) NEK1
Hydrochloric Acid SCHEMBL15092302 0.86 NEK1 (0.98) 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