SCHEMBL6924636

SCHEMBL6924636

COC(=O)c1ccc(-c2ccc(C#N)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
NSD2 O96028 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
PLAU P00749 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HSD17B1 P14061 1/20 0.43
MAP4K4 O95819 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
TNIK Q9UKE5 1/20 0.43
KDM1A O60341 2/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL2428847 0.89 MAPK14 (0.52) SLC2A1EGLN2PLAUEGFRPOLB
SCHEMBL28255681 0.86 SLC2A1 (0.63) SLC2A1EGFRPTGS2HSD17B1ALDH1A1
SCHEMBL6668020 0.85 GABRA1 (0.45) NSD2EGLN2HSD17B1MAP4K4MINK1
SCHEMBL6644495 0.84 SLC22A12 (0.56) NSD2HSD17B1MAP4K4KDM1AALDH1A1
SCHEMBL6668052 0.83 EGLN1 (0.51) NSD2EGLN2HSD17B1MAP4K4MINK1
SCHEMBL7402540 0.82 SLC2A1 (0.56) SLC2A1EGFRPTGS2HSD17B1ALDH1A1
SCHEMBL6883774 0.82 HSD17B1 (0.59) SLC2A1EGFRPOLBPTGS2HSD17B1
SCHEMBL7401479 0.81 CA1 (0.53) EGLN2PLAUPOLBRXFP1NAMPT
SCHEMBL13063631 0.81 CA1 (0.53) EGLN2PLAUPOLBRXFP1NAMPT
SCHEMBL6925340 0.81 MAP4K4 (0.45) EGLN2PLAUEGFRPOLBRXFP1

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-2004007493-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed