SCHEMBL25867224

SCHEMBL25867224

O[C@H]1CC[C@@H](Nc2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.61
ACHE P22303 7/20 0.61
APP P05067 5/20 0.61
CTNNB1 P35222 4/20 0.50
TCF7L2 Q9NQB0 4/20 0.50
USP1 O94782 1/20 0.48
WDR48 Q8TAF3 1/20 0.48
RAD52 P43351 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
UBE2N P61088 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RCE1 Q9Y256 1/20 0.46
SLC2A1 P11166 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL25309780 0.87 APP (0.67) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL25867149 0.86 APP (0.66) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL2588892 0.80 RAD52 (0.74) BCHEACHEAPPUSP1WDR48
SCHEMBL25867340 0.78 APP (0.64) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL25867300 0.78 BCHE (0.71) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL25867456 0.77 APP (0.62) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL25306105 0.75 APP (0.74) APPUSP1WDR48RAD52KMT2A
SCHEMBL25867222 0.74 APP (0.70) BCHEACHEAPPCTNNB1TCF7L2
SCHEMBL4864026 0.72 PDE5A (0.74) USP1WDR48KMT2AALDH1A1LMNA
SCHEMBL13797314 0.71 MCHR1 (0.65) BCHEACHEAPPADRA2AMCHR1

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-2023133221-A2 SMARCA2/4 INHIBITION AS A STRATEGY TO TREAT TUMORS THAT HARBOR ABERRANT BAF ASSEMBLIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-13 WO disclosed