SCHEMBL7608150

SCHEMBL7608150

Cc1ncc(CO)c(CO)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 1/20 0.63
PDXK O00764 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 2/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 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
SCHEMBL7970326 0.81 HPGD (0.70) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL18912675 0.79 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL20502352 0.78 KDM4E (0.92) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL2322958 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL30267871 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL3506 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL30877002 0.78 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10PDXK
Pyridoxine SCHEMBL28837806 0.77 KDM4E (0.89) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL30649291 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL22446367 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10PDXK

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
US-20020164651-A1 Diagnostic for inflammatory diseases associated with cartilage and bone surfaces NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-07 US disclosed