SCHEMBL25849315

SCHEMBL25849315

CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
BACE1 P56817 2/20 0.31
PGR P06401 1/20 0.31
CTSD P07339 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
SCHEMBL25871176 0.99 PDK2 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25872541 0.96 PDK2 (0.36) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25872073 0.96 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25849317 0.95 PDK2 (0.35) PDK2ESR1ESR2BACE1PGR
SCHEMBL25849045 0.94 KDM4E (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25873432 0.91 PDK2 (0.36) PDK2BACE1PGRCTSD
SCHEMBL25871894 0.91 PDK2 (0.33) PDK2ESR1ESR2BACE1PGR
SCHEMBL25852206 0.91 PDK2 (0.38) PDK2BACE1PGRCTSD
SCHEMBL25866701 0.90 PDK2 (0.33) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25849435 0.88 PDK2 (0.36) 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 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