SCHEMBL19260896

SCHEMBL19260896

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.44
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
MAP4K2 Q12851 1/20 0.41
CAMK2B Q13554 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 7/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL19273399 0.91 ELANE (0.44) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL1000476 0.83 L3MBTL1 (0.52) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL19260899 0.80 L3MBTL1 (0.45) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL3222887 0.80 L3MBTL1 (0.45) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL1710746 0.79 PIM1 (0.42) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL31407376 0.79 PIM1 (0.42) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL1587770 0.79 PIM1 (0.42) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL29955151 0.78 L3MBTL1 (0.44) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL17883434 0.77 ELANE (0.41) ELANEPIM1MARK3MAP4K2CAMK2B
SCHEMBL30726141 0.77 ELANE (0.41) ELANEPIM1MARK3MAP4K2CAMK2B

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