SCHEMBL8200282

SCHEMBL8200282

CC(C)(C)OC(=O)NC1(C=O)CC1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.37
CTSK P43235 4/20 0.35
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
EPHX2 P34913 1/20 0.30
CACNA1H O95180 1/20 0.30
BTK Q06187 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
SCHEMBL22080250 0.80 MEN1 (0.42) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL13360948 0.78 KMT2A (0.41) MEN1MAPK1KMT2ACTSKHDAC4
SCHEMBL22644381 0.77 MEN1 (0.38) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL13415253 0.75 KMT2A (0.38) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL3345289 0.75 KMT2A (0.38) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL634842 0.75 KMT2A (0.38) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL8372247 0.75 MEN1 (0.38) MEN1MAPK1KMT2ACTSKHDAC4
SCHEMBL13302345 0.75 MEN1 (0.38) MEN1MAPK1KMT2ACTSKHDAC4
SCHEMBL13360863 0.75 KMT2A (0.38) MEN1MAPK1KMT2AAPLNRCTSK
SCHEMBL20107170 0.75 KMT2A (0.38) MEN1MAPK1KMT2AAPLNRCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed