SCHEMBL21556948

SCHEMBL21556948

CC(N)C(O)c1ccc(CS)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
TDP1 Q9NUW8 6/20 0.64
LMNA P02545 5/20 0.64
RECQL P46063 4/20 0.64
MAPT P10636 3/20 0.64
HIF1A Q16665 3/20 0.64
BLM P54132 2/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
THPO P40225 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 1/20 0.64
APEX1 P27695 1/20 0.64
MTOR P42345 1/20 0.64
KMT2A Q03164 1/20 0.64
ADRA1A P35348 2/20 0.49
ADRB1 P08588 1/20 0.49
MIF P14174 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL21557010 0.85 KDM4E (0.66) KDM4ETDP1LMNARECQLMAPT
SCHEMBL18401481 0.85 KDM4E (0.66) KDM4ETDP1LMNARECQLMAPT
SCHEMBL10305413 0.83 KDM4E (0.64) KDM4ETDP1LMNARECQLMAPT
SCHEMBL20852494 0.80 KDM4E (0.58) KDM4ETDP1LMNARECQLMAPT
Nordefrin SCHEMBL249722 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT
Levonordefrin SCHEMBL6295856 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT
Levonordefrin SCHEMBL29410156 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT
Levonordefrin SCHEMBL14478222 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT
Levonordefrin SCHEMBL119171 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT
Nordefrin SCHEMBL29693041 0.78 TDP1 (1.00) KDM4ETDP1LMNARECQLMAPT

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-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed