SCHEMBL20543243

SCHEMBL20543243

[c]1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

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
PDK2 Q15119 16/20 0.36
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
POLB P06746 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL16670351 0.85 PDK2 (0.41) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21801298 0.83 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21801301 0.83 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18204439 0.83 PDK2 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL4306712 0.81 MEN1 (0.52) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18204437 0.79 PDK2 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18466667 0.78 MEN1 (0.38) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL26825403 0.78 PDK2 (0.54) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL18419425 0.78 CA1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL28959632 0.78 PDK2 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2

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
EP-3395799-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-10-31 EP disclosed