SCHEMBL25867526

SCHEMBL25867526

Cc1ccc(C(C)Nc2nc(NC3CCCC3)nc3ccccc23)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.51
▸ WHR1 P49842 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SOS1 Q07889 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ APP P05067 2/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ MERTK Q12866 5/20 0.43
▸ GRK6 P43250 2/20 0.42

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
SCHEMBL25867220 0.92 NPY5R (0.53) NPY5RWHR1KDM4ELMNAGAA
SCHEMBL30455430 0.80 WHR1 (0.62) NPY5RWHR1KDM4ELMNAGAA
SCHEMBL16280668 0.74 NPY5R (0.62) NPY5RWHR1KMT2AAPPBCHE
SCHEMBL24649614 0.72 NPY5R (0.79) NPY5RWHR1KDM4EKMT2AHSD17B10
SCHEMBL2202771 0.71 NPY5R (0.64) NPY5RWHR1KDM4ELMNASMN1; SMN2
SCHEMBL14256586 0.69 MERTK (0.49) NPY5RWHR1KMT2AALDH1A1MERTK
SCHEMBL25309780 0.69 APP (0.67) NPY5RKDM4ELMNAMAPTKMT2A
SCHEMBL8899277 0.68 NPY5R (1.00) NPY5RAPPBCHEACHEMERTK
SCHEMBL25867222 0.68 APP (0.70) NPY5RKDM4ELMNAMAPTKMT2A
SCHEMBL25867149 0.68 APP (0.66) NPY5RKDM4ELMNAMAPTKMT2A

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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