SCHEMBL28856494

SCHEMBL28856494

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MAP3K14 Q99558 4/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ CDK8 P49336 3/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PPOX P50336 2/20 0.34
▸ GAK O14976 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ COQ8A Q8NI60 1/20 0.33
▸ NLK Q9UBE8 1/20 0.33
▸ CCNC P24863 2/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL29896717 1.00 SLC22A12 (0.36) SLC22A12PPARAMAP3K14CNR2CDK8
SCHEMBL29896764 0.88 ALDH1A1 (0.36) SLC22A12PPARAPPOXATM
SCHEMBL28856556 0.88 ALDH1A1 (0.36) SLC22A12PPARAPPOXATM
SCHEMBL28856534 0.87 PPARA (0.48) SLC22A12PPARAMAP3K14
SCHEMBL29896734 0.87 PPARA (0.48) SLC22A12PPARAMAP3K14
SCHEMBL29896802 0.86 SMN1; SMN2 (0.37) SLC22A12PPARAPPOXATM
SCHEMBL28856550 0.86 SMN1; SMN2 (0.37) SLC22A12PPARAPPOXATM
SCHEMBL29896755 0.86 AAK1 (0.39) PPARAAAK1PPOX
SCHEMBL28856498 0.86 AAK1 (0.39) PPARAAAK1PPOX
SCHEMBL28856515 0.84 SLC22A12 (0.43) SLC22A12AAK1

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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