SCHEMBL24928654

SCHEMBL24928654

O=C(O)c1ccc(C2CC2)c(S(=O)(=O)Nc2cc(-c3ccns3)c(Cl)cc2OC2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 0.37
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL31198454 1.00 ACLY (0.37) ACLYPTK2BSMN1; SMN2L3MBTL1TDP1
SCHEMBL24928715 0.98 ACLY (0.37) ACLYPTK2BSMN1; SMN2L3MBTL1TDP1
SCHEMBL30153301 0.98 ACLY (0.37) ACLYPTK2BSMN1; SMN2L3MBTL1TDP1
SCHEMBL30153205 0.91 ACLY (0.35) ACLYPTK2BSMN1; SMN2L3MBTL1TDP1
SCHEMBL24928721 0.91 ACLY (0.35) ACLYPTK2BSMN1; SMN2L3MBTL1TDP1
SCHEMBL24928646 0.90 ACLY (0.45) ACLYPTK2BSMN1; SMN2TDP1FABP4
SCHEMBL31198407 0.90 ACLY (0.45) ACLYPTK2BSMN1; SMN2TDP1FABP4
SCHEMBL24928649 0.86 ACLY (0.41) ACLYTDP1FABP4PDE4APDE4B
SCHEMBL30153363 0.86 ACLY (0.41) ACLYTDP1FABP4PDE4APDE4B
SCHEMBL30153331 0.84 ACLY (0.38) ACLYSMN1; SMN2L3MBTL1ALDH1A1

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-2023007188-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-02-02 WO disclosed