SCHEMBL27460349

SCHEMBL27460349

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cc(-c6cncnc6)cc(-c6cncnc6)c5)c4)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.44
▸ BACE1 P56817 8/20 0.43
▸ KCNH2 Q12809 5/20 0.43
▸ ATM Q13315 1/20 0.41
▸ CTSD P07339 1/20 0.37

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
SCHEMBL22428415 1.00 PDK2 (0.44) PDK2BACE1KCNH2ATMCTSD
SCHEMBL22428444 0.97 PDK2 (0.42) PDK2BACE1KCNH2ATMCTSD
SCHEMBL22428446 0.91 PDK2 (0.43) PDK2BACE1KCNH2
SCHEMBL24492890 0.87 PDK2 (0.59) PDK2BACE1KCNH2
SCHEMBL9975003 0.86 ATM (0.41) PDK2BACE1KCNH2ATMCTSD
SCHEMBL12865732 0.86 PDK2 (0.60) PDK2BACE1KCNH2
SCHEMBL24492837 0.85 PDK2 (0.46) PDK2BACE1KCNH2ATM
SCHEMBL22428443 0.85 PDK2 (0.56) PDK2BACE1KCNH2
SCHEMBL24492820 0.85 PDK2 (0.50) PDK2BACE1KCNH2
SCHEMBL30452272 0.84 PDK2 (0.45) PDK2

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-2024144192-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 솔루스첨단소재 주식회사 2024-07-04 — — WO disclosed
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