SCHEMBL24428835

SCHEMBL24428835

CC(C)OC[C@H](O)CN1CCC(CC(C)OC[C@@H](O)CN2CCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL13145353 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL21941854 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL21743267 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL13145355 0.79 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EPOLBKMT2AMEN1
SCHEMBL21743274 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL18747350 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL23641970 0.77 SMN1; SMN2 (0.69) SMN1; SMN2HTTL3MBTL1KDM4EPOLB
SCHEMBL22890900 0.74 SLC6A2 (0.34) SMN1; SMN2MAPK1KDM4E
SCHEMBL3966966 0.73 SMN1; SMN2 (0.73) SMN1; SMN2L3MBTL1KDM4EPOLBKMT2A
SCHEMBL3970208 0.73 SMN1; SMN2 (0.73) SMN1; SMN2L3MBTL1KDM4EPOLBKMT2A

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
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