SCHEMBL11020538

SCHEMBL11020538

CC(=O)OCC(=O)c1c[nH]c(=O)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
DPYD Q12882 1/20 0.35
KMT2A Q03164 1/20 0.33

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
SCHEMBL11023577 0.83 MCL1 (0.39) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11024880 0.82 MCL1 (0.43) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11021291 0.79 MCL1 (0.45) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11023093 0.78 KMT2A (0.45) MCL1KDM4EALDH1A1HPGDLMNA
SCHEMBL11018525 0.78 GSK3B (0.45) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL22542501 0.77 KDM4E (0.48) MCL1KDM4EALDH1A1HPGDLMNA
SCHEMBL11020873 0.77 ALDH1A1 (0.43) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL1981825 0.75 POLB (0.48) MCL1KDM4EALDH1A1HPGDLMNA
SCHEMBL11019337 0.74 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL11019329 0.73 PDE3B (0.46) KDM4EALDH1A1HPGDLMNAHSD17B10

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
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed