SCHEMBL28640722

SCHEMBL28640722

Brc1ccccc1-c1ccc(C2(c3ccc4ccccc4c3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 3/20 0.35
CYP2A6 P11509 1/20 0.34
GSTP1 P09211 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM1A O60341 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33

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
SCHEMBL31611940 1.00 MEN1 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL34464583 0.84 MEN1 (0.49) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL30722930 0.84 ALDH1A1 (0.55) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL28637750 0.84 ALDH1A1 (0.55) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL9974968 0.84 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL30851345 0.84 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL28789120 0.82 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL29369861 0.82 MEN1 (0.53) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL34464558 0.79 CYP2A6 (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL16922975 0.79 CYP2A6 (0.48) MEN1KMT2AKDM4ELMNAMAPT

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
CN-113563205-A Novel compound and organic light-emitting element comprising same 株式会社东进世美肯 2021-10-29 CN disclosed