SCHEMBL2263239

SCHEMBL2263239

CCc1ccc(OC(N)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
UCHL1 P09936 1/20 0.38
HIF1A Q16665 4/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
F11 P03951 3/20 0.33
AAK1 Q2M2I8 1/20 0.33
ROCK1 Q13464 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CXCR2 P25025 1/20 0.31
LIPE Q05469 1/20 0.31
FLT3 P36888 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL28597856 0.81 MEN1 (0.41) MEN1KMT2AUCHL1HIF1ACA2
SCHEMBL28870982 0.80 MEN1 (0.40) MEN1KMT2AUCHL1HIF1ACA2
SCHEMBL28665821 0.80 MEN1 (0.40) MEN1KMT2AUCHL1HIF1ACA2
SCHEMBL28604770 0.75 ALDH1A1 (0.39) MEN1KMT2ACA2CA1CA9
SCHEMBL23043778 0.75 HSD17B3 (0.37) MEN1KMT2AUCHL1HIF1AROCK1
SCHEMBL2730662 0.75 CA1 (0.58) HIF1ACA2CA1CA9F11
SCHEMBL23795687 0.74 UCHL1 (0.41) MEN1KMT2AUCHL1HIF1ACA2
SCHEMBL28607887 0.74 UCHL1 (0.41) MEN1KMT2AUCHL1CA2CA1
SCHEMBL5761327 0.73 MEN1 (0.54) MEN1KMT2AHIF1ACA2CA1
SCHEMBL19125562 0.73 LIPG (0.45) UCHL1HIF1AF11ROCK1F2

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-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed