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SCHEMBL25865017

SCHEMBL25865017

CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.33
▸ BACE1 P56817 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25864861 0.94 KDM4E (0.36) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25864866 0.94 PDK2 (0.34) PDK2BACE1
SCHEMBL25851471 0.94 PDK2 (0.34) PDK2BACE1
SCHEMBL25864808 0.94 PDK2 (0.32) PDK2
SCHEMBL25865018 0.94 PDK2 (0.35) PDK2BACE1
SCHEMBL25866701 0.93 PDK2 (0.33) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25857275 0.92 PDK2 (0.32) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25864939 0.92 PDK2 (0.33) PDK2BACE1
SCHEMBL25857883 0.91 KDM4E (0.31) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25851642 0.91 PDK2 (0.32) PDK2BACE1

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 — — WO disclosed