SCHEMBL23028876

SCHEMBL23028876

Clc1ccc2c3c1-c1ccccc1C3(c1ccccc1)c1ccccc1O2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL23028763 0.81 AHR (0.51) AHRLMNA
SCHEMBL22891522 0.80 PDK2 (0.47) AHRPDK2KDM4EMAPK1ATM
SCHEMBL23028838 0.79 LMNA (0.39) AHRKDM4EMAPK1ATMMEN1
SCHEMBL25849778 0.78 KDM4E (0.37) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25865774 0.77 KDM4E (0.41) AHRKDM4EMAPK1ATMMEN1
SCHEMBL23028880 0.77 AHR (0.44) AHRPDK2KDM4EMEN1LMNA
SCHEMBL23028872 0.77 MEN1 (0.36) AHRPDK2KDM4EMAPK1MEN1
SCHEMBL20933688 0.77 AHR (0.47) AHRPDK2KDM4EMAPK1ATM
SCHEMBL23028785 0.77 AHR (0.40) AHRMAPK1LMNAMAPTCFTR
SCHEMBL23028879 0.76 MAPK1 (0.40) AHRPDK2KDM4EMAPK1MEN1

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