SCHEMBL20933688

SCHEMBL20933688

Clc1cccc2c1Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 2/20 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
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL20933259 0.96 AHR (0.49) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20934247 0.86 MEN1 (0.39) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23546526 0.84 AHR (0.37) AHRKDM4EMEN1LMNAMAPT
SCHEMBL20934083 0.81 AHR (0.50) AHRPDK2KDM4EMAPK1ATM
SCHEMBL23546516 0.81 AHR (0.39) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23546575 0.81 AHR (0.35) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20933221 0.81 AHR (0.44) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20933263 0.81 AHR (0.44) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20940302 0.79 AHR (0.39) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20933581 0.78 KDM4E (0.32) KDM4EMEN1LMNAMAPTOPRK1

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-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed