SCHEMBL3261289

SCHEMBL3261289

CN(CCO)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.51
LPL P06858 12/20 0.51
F11 P03951 2/20 0.49
ESR2 Q92731 1/20 0.43
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL3076177 0.86 LPL (0.53) LIPGLPLF11ESR2CA1
SCHEMBL520826 0.80 LPL (0.61) LIPGLPLF11ESR2CA1
Hydrochloric Acid SCHEMBL2594775 0.79 LPL (0.59) LIPGLPLF11ESR2CA1
SCHEMBL307558 0.78 SIGMAR1 (0.49) LIPGLPLF11ESR2
SCHEMBL20584964 0.78 LIPG (0.57) LIPGLPLF11ESR2F2
SCHEMBL6225307 0.77 LIPG (0.71) LIPGLPLF11ESR2F2
SCHEMBL1684669 0.77 LIPG (0.53) LIPGLPLF11ESR2F2
SCHEMBL1285032 0.77 LIPG (0.65) LIPGLPLF11ESR2F2
SCHEMBL14696602 0.76 LIPG (0.47) LIPGLPLF11ESR2CA1
SCHEMBL14659461 0.76 LIPG (0.51) LIPGLPLF11ESR2F2

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed