SCHEMBL20940299

SCHEMBL20940299

Brc1cccc2c1Oc1cc3c(cc1O2)C1(c2ccccc2-c2ccccc21)c1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT1 Q99873 1/20 0.32
PDK2 Q15119 1/20 0.31
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
SCHEMBL20940297 1.00 AHR (0.39) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL20931527 0.92 MEN1 (0.40) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL20932479 0.92 MEN1 (0.40) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL20932041 0.86 AHR (0.34) AHRPRMT1PDK2
SCHEMBL20931873 0.86 AHR (0.34) AHRPRMT1PDK2
SCHEMBL15713480 0.81 AHR (0.34) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL19058262 0.81 AHR (0.51) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL17816653 0.80 AHR (0.33) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL20940657 0.79 PDK2 (0.37) AHRMEN1KMT2AKDM4ELMNA
SCHEMBL20941133 0.79 AHR (0.58) AHRMEN1KMT2AKDM4ELMNA

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