SCHEMBL11469014

SCHEMBL11469014

CCc1ncc(CO)c(CS)c1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
PDXK O00764 3/20 0.43
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
DPP4 P27487 1/20 0.32
DHFR P00374 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4016022 0.87 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11450069 0.86 PDXK (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14899351 0.83 LMNA (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1645737 0.80 PDXK (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11457370 0.79 HPGD (0.76) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11468666 0.77 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3761208 0.74 PDXK (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29638818 0.74 PDXK (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11700751 0.72 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5331328 0.71 GAA (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed