SCHEMBL20940302

SCHEMBL20940302

Clc1ccc(Cl)c2c1Oc1ccc3c(c1O2)-c1ccccc1C31c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.39
PDK2 Q15119 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20940662 0.88 AHR (0.47) AHRPDK2MEN1MAPTKMT2A
SCHEMBL20933259 0.80 AHR (0.49) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20933688 0.79 AHR (0.47) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20941794 0.78 AHR (0.46) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20940657 0.78 PDK2 (0.37) AHRPDK2KDM4EMEN1LMNA
SCHEMBL20940301 0.77 PDK2 (0.36) AHRPDK2KDM4E
SCHEMBL20940896 0.76
SCHEMBL20941105 0.75 AHR (0.31) AHRMEN1MAPTKMT2A
SCHEMBL20940661 0.75 AHR (0.51) AHRPDK2MEN1MAPTKMT2A
SCHEMBL23546516 0.75 AHR (0.39) AHRKDM4EMEN1LMNAMAPT

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-2019078443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed