SCHEMBL19260899

SCHEMBL19260899

CC(C)(C)OC(=O)n1cc(CC#N)c2cnccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 1/20 0.43
ELANE P08246 4/20 0.43
GPR119 Q8TDV5 6/20 0.39
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 1/20 0.38
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL19273398 0.91 L3MBTL1 (0.45) L3MBTL1HTR6ELANEGPR119PIM1
SCHEMBL273000 0.83 L3MBTL1 (0.63) L3MBTL1HTR6PIM1MARK3MAP4K2
SCHEMBL19260896 0.80 ELANE (0.44) L3MBTL1HTR6ELANEGPR119PIM1
SCHEMBL29354113 0.79 HTR6 (0.51) L3MBTL1HTR6EPHX1NR1H2
SCHEMBL15776173 0.79 HTR6 (0.51) L3MBTL1HTR6EPHX1NR1H2
SCHEMBL29353520 0.79 HTR6 (0.51) L3MBTL1HTR6EPHX1NR1H2
SCHEMBL15776738 0.79 HTR6 (0.51) L3MBTL1HTR6EPHX1NR1H2
SCHEMBL3222887 0.79 L3MBTL1 (0.45) L3MBTL1HTR6ELANEGPR119PIM1
SCHEMBL3889015 0.79 HTR6 (0.46) L3MBTL1HTR6PIM1MARK3MAP4K2
SCHEMBL14964104 0.78 HTR6 (0.50) L3MBTL1HTR6GPR119EPHX1NR1H2

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-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 WO disclosed