SCHEMBL25849631

SCHEMBL25849631

CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 3/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
BACE1 P56817 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
SCHEMBL25849435 0.94 PDK2 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25850074 0.92 KDM4E (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25871178 0.92 PDK2 (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25850077 0.92 MEN1 (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25849045 0.91 KDM4E (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25850079 0.91 MEN1 (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25849635 0.91 PDK2 (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25872543 0.90 PDK2 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25872074 0.90 PDK2 (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25849433 0.90 PDK2 (0.35) KDM4EMEN1LMNAMAPTOPRK1

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