SCHEMBL30817488

SCHEMBL30817488

Brc1ccccc1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 15/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL19152866 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL30817483 0.90 MAPT (0.47) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL19869562 0.90 MAPT (0.47) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL19148000 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL28637750 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL30722930 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL28656157 0.87 MAPK1 (0.50) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL30722944 0.87 MAPK1 (0.50) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL21409905 0.87 PDK2 (0.41) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL4306712 0.86 MEN1 (0.52) 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-117326955-A Novel compound and organic light-emitting element comprising same 东进世美肯株式会社 2024-01-02 CN disclosed