SCHEMBL28444539

SCHEMBL28444539

CS(=O)(=O)Nc1ccncc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.58
PTGS2 P35354 14/20 0.56
CYP17A1 P05093 2/20 0.50
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL6121043 0.87 PTGS1 (0.58) PTGS1PTGS2CYP17A1
SCHEMBL28450051 0.84 PTGS1 (0.50) PTGS1PTGS2CYP17A1SLC22A12
SCHEMBL28457565 0.80 PTGS1 (0.61) PTGS1PTGS2SLC22A12
SCHEMBL28448101 0.80 SLC22A12 (0.48) PTGS1PTGS2CYP17A1SLC22A12
SCHEMBL28448368 0.79 SLC22A12 (0.50) PTGS1PTGS2SLC22A12
SCHEMBL521538 0.73 PTGS1 (0.60) PTGS1PTGS2SLC22A12
SCHEMBL14830652 0.71 CYP17A1 (0.53) PTGS1PTGS2CYP17A1SLC22A12
SCHEMBL14960632 0.70 PTGS1 (0.67) PTGS1PTGS2
SCHEMBL527008 0.70 CYP17A1 (0.73) PTGS1PTGS2CYP17A1
SCHEMBL14627251 0.70 PTGS1 (0.53) PTGS1PTGS2SLC22A12

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
CN-106831556-B Sulfonamide compound, preparation method thereof and application of sulfonamide compound as urate transporter inhibitor medicine 成都海创药业有限公司 2020-09-01 CN disclosed