SCHEMBL31403095

SCHEMBL31403095

CS(=O)(=O)c1ccc(Oc2ccc(Br)cc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.54
PLA2G7 Q13093 4/20 0.45
SLC22A12 Q96S37 7/20 0.44
SLC6A4 P31645 1/20 0.43
PTGS2 P35354 1/20 0.42
VEGFA P15692 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL20510862 0.81 EPAS1 (0.50) EPAS1PLA2G7SLC22A12SLC6A4
SCHEMBL11094289 0.80 EPAS1 (0.51) EPAS1PLA2G7SLC6A4PTGS2TBXA2R
SCHEMBL9472611 0.80 POLB (0.64) EPAS1PLA2G7SLC22A12SLC6A4PTGS2
SCHEMBL6867910 0.77 POLB (0.47) PLA2G7SLC6A4
SCHEMBL10950817 0.76 EPAS1 (0.65) EPAS1PLA2G7SLC22A12
SCHEMBL31402899 0.75 PTPN1 (0.52) EPAS1SLC6A4PTGS2TBXA2R
SCHEMBL10950514 0.75 PTGS2 (0.54) PTGS2
SCHEMBL15402990 0.75 CYP11B1 (0.43) EPAS1SLC22A12SLC6A4PTGS2
SCHEMBL31403111 0.75 GCK (0.38) EPAS1PTGS2
SCHEMBL26936308 0.74 ALDH1A1 (0.49) EPAS1

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-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed