SCHEMBL21153121

SCHEMBL21153121

CNNC(=O)CNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
KDM5C P41229 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2 P00734 1/20 0.33
F13A1 P00488 1/20 0.32
KMT2A Q03164 1/20 0.32
PAOX Q6QHF9 3/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
ADRA1A P35348 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL3623995 0.79
SCHEMBL7267188 0.76
SCHEMBL19509410 0.75 KDM4E (0.39) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL31758443 0.75 KDM4E (0.39) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL15499757 0.74
SCHEMBL24923006 0.73 KDM4E (0.37) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL17244599 0.73 NPSR1 (0.34) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL3623992 0.72
SCHEMBL21424162 0.72
SCHEMBL8387689 0.72

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-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed