SCHEMBL24428862

SCHEMBL24428862

COC[C@@H](C)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL20028806 1.00 KDM4E (0.41) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL12285829 0.81 SMN1; SMN2 (0.50) POLBKMT2AMEN1SIGMAR1
SCHEMBL21743266 0.80 SMN1; SMN2 (0.44) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL21941855 0.80 SMN1; SMN2 (0.44) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL17828077 0.79 SIGMAR1 (0.55) KMT2AMEN1TSHRSIGMAR1ALDH1A1
SCHEMBL24428715 0.78 KMT2A (0.37) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL9407486 0.78 KMT2A (0.55) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL21667814 0.77 MAPK1 (0.40) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL21667816 0.77 MAPK1 (0.40) KDM4EPOLBKMT2AMEN1ATM
SCHEMBL21667815 0.77 MAPK1 (0.40) KDM4EPOLBKMT2AMEN1ATM

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-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed