SCHEMBL25867220

SCHEMBL25867220

CC(Nc1nc(NC2CCCC2)nc2ccccc12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.53
▸ WHR1 P49842 1/20 0.49
▸ ADRA2A P08913 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ APP P05067 2/20 0.45
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ SOS1 Q07889 2/20 0.45
▸ MERTK Q12866 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GRK6 P43250 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL25867526 0.92 NPY5R (0.51) NPY5RWHR1APPBCHEACHE
SCHEMBL30455430 0.82 WHR1 (0.62) NPY5RWHR1APPBCHEACHE
SCHEMBL25309780 0.77 APP (0.67) NPY5RAPPBCHEACHEKDM4E
SCHEMBL16280668 0.76 NPY5R (0.62) NPY5RWHR1APPBCHEACHE
SCHEMBL25867149 0.76 APP (0.66) NPY5RAPPBCHEACHEKDM4E
SCHEMBL24649614 0.74 NPY5R (0.79) NPY5RWHR1APPBCHEACHE
SCHEMBL27223499 0.74 MERTK (0.68) NPY5RSOS1MERTKKMT2AMEN1
SCHEMBL2202771 0.70 NPY5R (0.64) NPY5RWHR1APPBCHEACHE
SCHEMBL25867227 0.70 MCHR1 (0.55) NPY5RADRA2AMCHR1APPBCHE
SCHEMBL8899277 0.70 NPY5R (1.00) NPY5RAPPBCHEACHEMERTK

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
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