SCHEMBL23028872

SCHEMBL23028872

Clc1cc2c3c(c1)-c1ccccc1C3(c1ccccc1)c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AHR P35869 3/20 0.33
PDK2 Q15119 3/20 0.33
MAP3K14 Q99558 2/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
CYP19A1 P11511 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
SCHEMBL23028785 0.89 AHR (0.40) LMNAMAPTAHRMAP3K14MAPK1
SCHEMBL23028873 0.84 MAP3K14 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028879 0.82 MAPK1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028790 0.81 MAPK1 (0.35) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028724 0.81 SMN1; SMN2 (0.42) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL25865774 0.80 KDM4E (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028887 0.80 PDK2 (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23028783 0.79 MAP3K14 (0.44) MEN1KMT2AMAPTAHRPDK2
SCHEMBL23285076 0.77 PDK2 (0.51) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23697252 0.77 MAP3K14 (0.46) MEN1KMT2AMAPTAHRPDK2

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