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SCHEMBL25061353

SCHEMBL25061353

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(S(C)(C)C)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccc(-c6ccccc6)cc5)cc3-4)cc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22183166 0.95 PDK2 (0.33) PDK2
SCHEMBL22480666 0.92 PDK2 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL17854501 0.92 MEN1 (0.36) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL18468898 0.92 MEN1 (0.36) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL18468688 0.92 MEN1 (0.36) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL16802249 0.91 MEN1 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25061358 0.91 PDK2 (0.34) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21923879 0.90 MEN1 (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21392684 0.90 KDM4E (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21923969 0.88 KDM4E (0.35) PDK2KDM4EMEN1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 — — US disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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