SCHEMBL5806403

SCHEMBL5806403

COc1ccc(CCNC(=O)C[S])cc1OC

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA12 O43570 1/20 0.68
CA9 Q16790 1/20 0.68
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.60

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
SCHEMBL23392535 0.88 MAPT (0.77) MAPTCA1CA2CA12CA9
SCHEMBL23417617 0.88 ALDH1A1 (0.77) MAPTCA1CA2CA12CA9
SCHEMBL1820807 0.87 CA12 (0.69) MAPTCA1CA2CA12CA9
SCHEMBL30738251 0.87 CA1 (0.79) MAPTCA1CA2CA12CA9
SCHEMBL248400 0.87 CA1 (0.79) MAPTCA1CA2CA12CA9
SCHEMBL9051137 0.87 CA1 (0.69) MAPTCA1CA2CA12CA9
SCHEMBL3348400 0.87 CA1 (0.69) MAPTCA1CA2CA12CA9
SCHEMBL4022887 0.87 KMT2A (0.87) MAPTCA1CA2CA12CA9
SCHEMBL3351879 0.85 CA12 (0.68) MAPTCA1CA2CA12CA9
SCHEMBL5806407 0.85 CA1 (0.68) MAPTCA1CA2CA12CA9

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed