SCHEMBL24928670

SCHEMBL24928670

Nc1cc(-c2ccns2)ccc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.38
MCHR1 Q99705 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
CSNK2A1 P68400 2/20 0.36
KMO O15229 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL30845578 0.79 PDE5A (0.38) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL24929104 0.78 FEN1 (0.38) PDE4AMCHR1MKNK1MKNK2CSNK2A1
SCHEMBL24930069 0.78 CSNK2A1 (0.39) PDE4AMCHR1PDE4BPDE4CPDE4D
SCHEMBL24928863 0.75 CSNK2A1 (0.36) MCHR1MKNK1MKNK2CSNK2A1KMO
SCHEMBL12953545 0.70 PDE4B (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL10012300 0.70 CSNK2A1 (0.45) PDE4AMCHR1PDE4BPDE4CPDE4D
SCHEMBL12952665 0.69 SCN8A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL12952904 0.69 SCN8A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL1136135 0.68 NPY1R (0.50) PDE4AMCHR1PDE4BPDE4CPDE4D
SCHEMBL1135987 0.68 CSNK2A1 (0.44) PDE4AMCHR1PDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881657-A Phenyl-sulfamoyl-benzoic acid derivatives as ERAP1 modulators 格雷沃尔夫治疗有限公司 2024-04-12 CN disclosed
WO-2023007188-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-02-02 WO disclosed