SCHEMBL29896734

SCHEMBL29896734

CC(C)(Sc1ccc(-c2ccnc3ccc(C#N)cc23)s1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.48
▸ SLC22A12 Q96S37 17/20 0.45
▸ MAP3K14 Q99558 1/20 0.37

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
SCHEMBL28856534 1.00 PPARA (0.48) PPARASLC22A12MAP3K14
SCHEMBL29896717 0.87 SLC22A12 (0.36) PPARASLC22A12MAP3K14
SCHEMBL28856494 0.87 SLC22A12 (0.36) PPARASLC22A12MAP3K14
SCHEMBL28856510 0.85 PPARA (0.43) PPARASLC22A12
SCHEMBL29896814 0.85 PPARA (0.43) PPARASLC22A12
SCHEMBL29896818 0.84 PPARA (0.42) PPARASLC22A12
SCHEMBL29896812 0.84 PPARA (0.48) PPARASLC22A12
SCHEMBL28856532 0.84 PPARA (0.48) PPARASLC22A12
SCHEMBL28856562 0.84 PPARA (0.42) PPARASLC22A12
SCHEMBL28856531 0.82 SLC22A12 (0.58) PPARASLC22A12

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-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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