SCHEMBL25849635

SCHEMBL25849635

CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BACE1 P56817 3/20 0.31
CTSD P07339 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 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
SCHEMBL25848717 0.93 PDK2 (0.33) PDK2MEN1MAPTKMT2ALMNA
SCHEMBL25849633 0.93 MEN1 (0.33) PDK2MEN1MAPTKMT2ALMNA
SCHEMBL25849439 0.93 PDK2 (0.36) PDK2
SCHEMBL25848725 0.93 PDK2 (0.36) PDK2MEN1MAPTKMT2ALMNA
SCHEMBL25871009 0.92 PDK2 (0.38) PDK2BACE1
SCHEMBL25849631 0.91 KDM4E (0.36) PDK2MEN1MAPTKMT2ALMNA
SCHEMBL25852646 0.90 PDK2 (0.33) PDK2MEN1MAPTKMT2ALMNA
SCHEMBL25873433 0.89 PDK2 (0.38) PDK2BACE1
SCHEMBL25849438 0.89 PDK2 (0.35) PDK2MEN1MAPTKMT2AHTT
SCHEMBL25848718 0.89 MEN1 (0.34) PDK2MEN1MAPTKMT2ALMNA

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