SCHEMBL30381735

SCHEMBL30381735

[2H]c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 13/20 0.46
▸ LIPG Q9Y5X9 13/20 0.46
▸ F11 P03951 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ ESR2 Q92731 1/20 0.36
▸ P4HB P07237 1/20 0.34
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL321437 0.86 LPL (0.53) LPLLIPGF11CA1CA2
Bicarbonate SCHEMBL28602416 0.76 LIPG (0.49) LPLLIPGF11CA1CA2
SCHEMBL1372253 0.76 LIPG (0.67) LPLLIPGF11CA1CA2
SCHEMBL228212 0.75 LPL (0.71) LPLLIPGF11CA1CA2
SCHEMBL30590709 0.73 LPL (0.44) LPLLIPGF11CA1CA2
SCHEMBL3517704 0.71 LIPG (0.67) LPLLIPGF11CA1CA2
SCHEMBL19489213 0.71 LPL (0.45) LPLLIPGF11CA1CA2
SCHEMBL18123774 0.71 CA1 (0.51) LPLLIPGF11CA1CA2
SCHEMBL9929885 0.69 LPL (0.44) LPLLIPGF11CA1CA2
SCHEMBL29351483 0.69 LPL (0.48) LPLLIPGF11CA1CA2

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-2023051749-A1 AAK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-04-06 — — WO disclosed
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