SCHEMBL3476749

SCHEMBL3476749

CN(C(=O)O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.36
LPL P06858 6/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
P4HB P07237 1/20 0.36
F2 P00734 2/20 0.35
F11 P03951 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
DGAT1 O75907 1/20 0.34
HIF1A Q16665 3/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL17439308 0.89 DGAT1 (0.34) LIPGLPLPDGFRBKDRP4HB
SCHEMBL1554613 0.84 LIPG (0.39) LIPGLPLPDGFRBKDRP4HB
SCHEMBL1554719 0.83 DGAT1 (0.37) LIPGLPLPDGFRBKDRP4HB
SCHEMBL25146980 0.82 BACE1 (0.44) PDGFRBKDRF2F11PRSS1
SCHEMBL29845293 0.82 BACE1 (0.44) PDGFRBKDRF2F11PRSS1
SCHEMBL14804515 0.82 LPL (0.39) LIPGLPLF11CA1CA2
Hydrochloric Acid SCHEMBL16109917 0.81 LPL (0.38) LIPGLPLF11CA1CA2
SCHEMBL4303492 0.81 LIPG (0.36) LIPGLPLPDGFRBKDRP4HB
SCHEMBL21610948 0.80 F2 (0.41) LIPGLPLPDGFRBKDRP4HB
SCHEMBL4553845 0.79 DGAT1 (0.45) LIPGLPLPDGFRBKDRP4HB

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-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed