SCHEMBL25855471

SCHEMBL25855471

c1ccc(C2(c3ccc(-c4ccc5cccc6c5c4Sc4ccccc4-6)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TYMS P04818 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL25854118 0.93 ALDH1A1 (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25847310 0.93 KDM4E (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25847114 0.92 KDM4E (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25855792 0.91 KDM4E (0.30) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25854808 0.91 KDM4E (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25854563 0.90
SCHEMBL25862127 0.90 ALDH1A1 (0.34) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25855467 0.88 MEN1 (0.39) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25847298 0.88 ALDH1A1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25862276 0.86 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1HSD17B10TP53

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