SCHEMBL13804682

SCHEMBL13804682

Cc1nc(C(=O)O/N=C2\C=CC(=O)C=C2Cl)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL13804925 0.76 MAPT (0.33) MAPTHTT
SCHEMBL5162076 0.72 MAPT (0.38) MAPTHTTALDH1A1
SCHEMBL13804921 0.70 PLK1 (0.60) MAPTHTTALDH1A1
SCHEMBL692975 0.66 MAPK1 (0.43) MAPTHTTALDH1A1
SCHEMBL13804924 0.66 MAPT (0.36) MAPTHTTALDH1A1
SCHEMBL13804685 0.64 MAPT (0.33) MAPTHTTALDH1A1
SCHEMBL3861670 0.64
SCHEMBL6801869 0.64 CYP1A2 (0.55) MAPTALDH1A1
SCHEMBL4439651 0.63
SCHEMBL2852145 0.62 NOTUM (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009068322-A1 SELECTIVE INHIBITION OF POLO-LIKE KINASE 1 MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENS CHAFTEN E.V. (DE) 2009-06-04 WO disclosed
EP-2065039-A1 Selective inhibition of Polo-like kinase 1 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-06-03 EP disclosed