SCHEMBL25858158

SCHEMBL25858158

c1ccc(C2(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4c(ccc6ccccc46)O5)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK2 Q15119 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SCN9A Q15858 1/20 0.31
BACE1 P56817 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KIF11 P52732 1/20 0.30
POLB P06746 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
SCHEMBL25852022 0.95 PDK2 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25856761 0.95 KDM4E (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25858405 0.94 PDK2 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25857457 0.94 PDK2 (0.32) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25865144 0.94 KDM4E (0.32) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21971078 0.93 KDM4E (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25856503 0.92 MCL1 (0.32) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25865152 0.91 PDK2 (0.32) PDK2
SCHEMBL25852810 0.90 KDM4E (0.31) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25871253 0.90 PDK2 (0.33) MEN1KMT2AKDM4ELMNAMAPT

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