SCHEMBL31403124

SCHEMBL31403124

CS(=O)(=O)c1ccc(Oc2ccc3cc(Br)cc(I)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
PTGS1 P23219 6/20 0.36
SLC6A4 P31645 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALOX5 P09917 1/20 0.33
TEK Q02763 1/20 0.33
GCK P35557 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 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
SCHEMBL31403111 0.83 GCK (0.38) PTGS2PTGS1GCK
SCHEMBL31485307 0.74 EGFR (0.38)
SCHEMBL26650884 0.74 EGFR (0.38)
SCHEMBL10950514 0.73 PTGS2 (0.54) PTGS2
SCHEMBL10833035 0.72 PTGS2 (0.51) PTGS2PTGS1THRB
SCHEMBL1477426 0.72 PTGS2 (0.57) PTGS2PTGS1THRB
SCHEMBL8941551 0.69 PTGS2 (0.54) PTGS2PTGS1GCK
SCHEMBL425840 0.67 XDH (0.46) PTGS2PTGS1GCK
SCHEMBL2664271 0.67 PTGS2 (0.46) PTGS2PTGS1SLC6A4GCK
SCHEMBL11547843 0.67 HTT (0.58) PTGS2PTGS1

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