SCHEMBL15834745

SCHEMBL15834745

C/N=C(\N)CCC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KDM5C P41229 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL3070497 0.81
SCHEMBL3660629 0.77 LMNA (0.63) LMNAPOLBTDP1MCL1KDM4E
SCHEMBL1297846 0.75
SCHEMBL15834111 0.75 LMNA (0.38) LMNAPOLB
Hydrochloric Acid SCHEMBL3355086 0.73 LMNA (0.48) LMNAPOLBTDP1MCL1KDM4E
SCHEMBL8163507 0.70 KDM4E (0.59) LMNAPOLBMCL1KDM4EKDM5C
SCHEMBL23735526 0.69 LMNA (0.55) LMNAPOLBTDP1MCL1KDM4E
SCHEMBL487785 0.69 LMNA (0.48) LMNAPOLBMCL1KDM4ECTSD
SCHEMBL6683840 0.69 LMNA (0.48) LMNAPOLBMCL1KDM4EALDH1A1
SCHEMBL4831329 0.69

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-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed