SCHEMBL23028824

SCHEMBL23028824

c1ccc(-c2ccc(C34c5ccccc5Sc5cccc(c53)-c3ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.35
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 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
SCHEMBL23028826 0.91 KDM4E (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028823 0.90 MEN1 (0.43) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028831 0.90 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028806 0.89 MEN1 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028832 0.87 L3MBTL1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028828 0.86 MEN1 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028920 0.84 SMN1; SMN2 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL17482492 0.82 ALDH1A1 (0.33) MEN1KMT2AMAPTPOLBTHRB
SCHEMBL17482484 0.82 ALDH1A1 (0.33) MEN1KMT2AMAPTPOLBTHRB
SCHEMBL21658518 0.81 GPR55 (0.35) 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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed