SCHEMBL25865307

SCHEMBL25865307

Cc1cccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c(ccc6ccccc46)O5)ccc3-c3cc4ccccc4cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL25865143 0.91 PDK2 (0.32) PDK2LMNABACE1
SCHEMBL25856761 0.90 KDM4E (0.35) PDK2LMNABACE1
SCHEMBL25852022 0.89 PDK2 (0.33) PDK2LMNA
SCHEMBL25857625 0.87 KDM4E (0.30) PDK2LMNA
SCHEMBL25851412 0.87 PDK2 (0.33) PDK2
SCHEMBL25865148 0.87 PDK2 (0.33) PDK2
SCHEMBL25865308 0.87 PDK2 (0.31) PDK2BACE1
SCHEMBL25857457 0.86 PDK2 (0.32) PDK2LMNABACE1ESR1ESR2
SCHEMBL25865152 0.85 PDK2 (0.32) PDK2
SCHEMBL25858158 0.85 MEN1 (0.35) PDK2LMNABACE1ESR1ESR2

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