SCHEMBL24928655

SCHEMBL24928655

Cc1oncc1-c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C2CC2)c(OC2CCCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.41
FABP4 P15090 3/20 0.37
FABP5 Q01469 2/20 0.37
PIK3CA P42336 7/20 0.36
BRD4 O60885 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
RAD52 P43351 1/20 0.35
PIK3R1 P27986 2/20 0.35
SCN9A Q15858 1/20 0.35
PTK2B Q14289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31198427 1.00 ACLY (0.41) ACLYFABP4FABP5PIK3CABRD4
SCHEMBL31198500 0.91 ACLY (0.38) ACLYFABP4BRD4ERAP1RAD52
SCHEMBL24928651 0.91 ACLY (0.38) ACLYFABP4BRD4ERAP1RAD52
SCHEMBL24928843 0.89 ACLY (0.38) ACLYFABP4BRD4ERAP1RAD52
SCHEMBL30153324 0.89 ACLY (0.38) ACLYFABP4BRD4ERAP1RAD52
SCHEMBL24928647 0.87 BRD4 (0.44) ACLYPIK3CABRD4ERAP1RAD52
SCHEMBL30153337 0.87 BRD4 (0.44) ACLYPIK3CABRD4ERAP1RAD52
SCHEMBL30153306 0.83 ACLY (0.36) ACLYFABP4RAD52PTK2BSMN1; SMN2
SCHEMBL24928850 0.83 ACLY (0.36) ACLYFABP4RAD52PTK2BSMN1; SMN2
SCHEMBL30845553 0.83 ACLY (0.40) ACLYSCN9ASMN1; SMN2

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