SCHEMBL29138001

SCHEMBL29138001

O=S(=O)(c1cc[c]cc1)c1cc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 9/20 0.39

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
SCHEMBL4540142 0.81 AKR1B1 (0.58) AKR1B1
SCHEMBL22494209 0.80 AKR1B1 (0.35) AKR1B1
SCHEMBL29236467 0.78 AKR1B1 (0.41) AKR1B1
SCHEMBL27534224 0.78 AKR1B1 (0.60) AKR1B1
SCHEMBL1763273 0.78 AKR1B1 (0.60) AKR1B1
SCHEMBL4730663 0.73 AKR1B1 (0.33) AKR1B1
SCHEMBL818508 0.72 HTR6 (0.50)
SCHEMBL28977117 0.69 AKR1B1 (0.64) AKR1B1
SCHEMBL27407696 0.69 AKR1B1 (0.42) AKR1B1
SCHEMBL28085263 0.69 AKR1B1 (0.41) AKR1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343011-A Compound based on pyrazolyl-sulfonyl-phenyl skeleton structure, its preparation method and application, and pharmaceutical composition 晨伫(杭州)生物科技有限责任公司 2024-01-05 CN claimed
CN-117343011-A Compound based on pyrazolyl-sulfonyl-phenyl skeleton structure, its preparation method and application, and pharmaceutical composition 晨伫(杭州)生物科技有限责任公司 2024-01-05 CN disclosed
CN-117343011-A Compound based on pyrazolyl-sulfonyl-phenyl skeleton structure, its preparation method and application, and pharmaceutical composition 晨伫(杭州)生物科技有限责任公司 2024-01-05 CN disclosed
CN-117343011-A Compound based on pyrazolyl-sulfonyl-phenyl skeleton structure, its preparation method and application, and pharmaceutical composition 晨伫(杭州)生物科技有限责任公司 2024-01-05 CN disclosed