SCHEMBL2263236

SCHEMBL2263236

CCc1c(OC(N)=O)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
F11 P03951 3/20 0.33
LIPG Q9Y5X9 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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 2/20 0.32
CXCR2 P25025 2/20 0.31
NCEH1 Q6PIU2 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LIPE Q05469 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL22721749 0.83 F11 (0.38) F11LIPGMEN1KMT2AF2
SCHEMBL5762336 0.82 JAK2 (0.37) UCHL1F11LIPGMEN1KMT2A
SCHEMBL28736211 0.81 LIPG (0.36) F11LIPGMEN1KMT2AF2
SCHEMBL28811745 0.81 UCHL1 (0.34) UCHL1F11
SCHEMBL29020404 0.80 NFE2L2 (0.35) UCHL1F11MEN1KMT2AF2
SCHEMBL29175542 0.78 F2 (0.38) F11LIPGMEN1KMT2AF2
SCHEMBL6733099 0.75 LIPG (0.37) UCHL1F11LIPGF2PRSS1
SCHEMBL2411212 0.75 F2RL3 (0.39) UCHL1
SCHEMBL13970721 0.75 KDM4E (0.40) UCHL1KMT2AHIF1A
SCHEMBL2414737 0.74 LIPG (0.37) UCHL1F11LIPGLPLCA1

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