SCHEMBL3435307

SCHEMBL3435307

CCOC(=O)C1=C(CCl)NC(=O)NC1c1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.76
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL3394543 0.88 KIF11 (0.74) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL5341216 0.86 KIF11 (1.00) KIF11POLBSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3432561 0.84 PDE1C (0.58) KIF11CA12CA1CA2CA7
SCHEMBL13426160 0.83 TP53 (0.74) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL3391291 0.83 KIF11 (0.63) KIF11ALDH1A1GAA
SCHEMBL4649467 0.81 ALDH1A1 (0.77) CA12CA1CA2CA7CA9
SCHEMBL3394451 0.79 KIF11 (0.64) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL13425966 0.78 KIF11 (0.62) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL13426215 0.78 KIF11 (0.62) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL13426223 0.78 KIF11 (0.60) KIF11POLBSMN1; SMN2ALDH1A1MEN1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed