SCHEMBL25867223

SCHEMBL25867223

Fc1cccc(CNc2nc(NC3CCCC3)nc3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.71
BCHE P06276 4/20 0.71
ACHE P22303 4/20 0.71
CTNNB1 P35222 4/20 0.62
TCF7L2 Q9NQB0 4/20 0.62
CCNE2 O96020 1/20 0.59
CCNE1 P24864 1/20 0.59
CDK2 P24941 1/20 0.59
NPY5R Q15761 1/20 0.58
RAD52 P43351 1/20 0.54
MERTK Q12866 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
UBE2N P61088 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RCE1 Q9Y256 1/20 0.53

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
SCHEMBL2580376 0.85 RAD52 (0.76) APPBCHEACHECCNE2CCNE1
SCHEMBL25867340 0.84 APP (0.64) APPBCHEACHECTNNB1TCF7L2
SCHEMBL25867456 0.83 APP (0.62) APPBCHEACHECTNNB1TCF7L2
SCHEMBL25309780 0.83 APP (0.67) APPBCHEACHECTNNB1TCF7L2
SCHEMBL25867222 0.82 APP (0.70) APPBCHEACHECTNNB1TCF7L2
SCHEMBL25867149 0.82 APP (0.66) APPBCHEACHECTNNB1TCF7L2
SCHEMBL4866829 0.81 PDE5A (0.78) APPBCHEACHECCNE2CCNE1
SCHEMBL14266699 0.79 APP (0.59) APPBCHEACHENPY5RRAD52
SCHEMBL14256550 0.79 APP (0.61) APPBCHEACHENPY5RRAD52
SCHEMBL30896249 0.78 APP (0.60) APPBCHEACHENPY5RRAD52

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