SCHEMBL13804685

SCHEMBL13804685

O=C1C=C/C(=N\OC(=O)N2CC2)C(Cl)=C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SETD7 Q8WTS6 2/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL5162076 0.77 MAPT (0.38) MAPTMEN1ALDH1A1HPGDALOX12
SCHEMBL13804924 0.74 MAPT (0.36) MAPTMEN1ALDH1A1HPGDALOX12
SCHEMBL13804921 0.67 PLK1 (0.60) MAPTSMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL13804925 0.65 MAPT (0.33) MAPTHTT
SCHEMBL13804682 0.64 MAPT (0.37) MAPTALDH1A1HTT
SCHEMBL13804688 0.64 PLK1 (0.57) MAPTSMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL5160510 0.64 MAPT (0.38) MAPTSMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL5799546 0.60 MEN1 (0.34) MAPTMEN1ALDH1A1HPGDALOX12
SCHEMBL5161482 0.58 MAPT (0.57) MAPTSMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL5161352 0.57 ALOX5 (0.39) MAPTHTT

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