Sugi Predict

Sugi Predict / Compounds / SCHEMBL25866701

SCHEMBL25866701

SCHEMBL25866701

CC1(c2ccccc2)c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)ccc2-c2cc3ccccc3cc21

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
SCHEMBL25867693 0.94 PDK2 (0.32) PDK2
SCHEMBL25865017 0.93 PDK2 (0.33) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25866698 0.92 PDK2 (0.33) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25865018 0.92 PDK2 (0.35) PDK2BACE1
SCHEMBL25866700 0.92 PDK2 (0.36) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25849315 0.90 PDK2 (0.35) PDK2BACE1KDM4EMEN1LMNA
SCHEMBL25864808 0.90 PDK2 (0.32) PDK2
SCHEMBL25866483 0.90 PDK2 (0.34) PDK2BACE1
SCHEMBL25867537 0.89 PDK2 (0.33) PDK2BACE1
SCHEMBL25871176 0.89 PDK2 (0.37) PDK2BACE1KDM4EMEN1LMNA

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