SCHEMBL24928647

SCHEMBL24928647

Cc1oncc1-c1ccc(OC2CCCC2)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ACLY P53396 6/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
ERAP1 Q9NZ08 2/20 0.37
RAD52 P43351 1/20 0.36
POLB P06746 1/20 0.36
ERAP2 Q6P179 1/20 0.36
PIK3CA P42336 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL30153337 1.00 BRD4 (0.44) BRD4ACLYPDE4APDE4BPDE4C
SCHEMBL30845569 0.94 BRD4 (0.43) BRD4ACLYPDE4APDE4BPDE4C
SCHEMBL30153373 0.94 BRD4 (0.43) BRD4ACLYPDE4APDE4BPDE4C
SCHEMBL31198427 0.87 ACLY (0.41) BRD4ACLYERAP1RAD52PIK3CA
SCHEMBL24928651 0.87 ACLY (0.38) BRD4ACLYPDE4APDE4BPDE4C
SCHEMBL24928655 0.87 ACLY (0.41) BRD4ACLYERAP1RAD52PIK3CA
SCHEMBL31198500 0.87 ACLY (0.38) BRD4ACLYPDE4APDE4BPDE4C
SCHEMBL24928843 0.85 ACLY (0.38) BRD4ACLYTDP1ERAP1RAD52
SCHEMBL30153324 0.85 ACLY (0.38) BRD4ACLYTDP1ERAP1RAD52
SCHEMBL22637408 0.81 ACLY (0.44) BRD4ACLYTDP1GAA

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