SCHEMBL28386432

SCHEMBL28386432

CCOC(=O)C(C)(C)Sc1cc(C#N)c2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.53
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17899889 0.85 SLC22A12 (0.74) SLC22A12KDM4ETDP1SLC22A6SLC22A11
SCHEMBL28388162 0.82 SLC22A12 (0.54) SLC22A12KDM4ETDP1CNR2MAPT
SCHEMBL28383517 0.73 SLC22A12 (0.46) SLC22A12KDM4EXDH
SCHEMBL14919143 0.72 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987685 0.71 SLC22A12 (0.75) SLC22A12SLC22A6SLC22A11MAPTABCG2
SCHEMBL18105414 0.71 SLC22A12 (0.76) SLC22A12SLC22A6SLC22A11
SCHEMBL9994198 0.70 SLC22A12 (0.49) SLC22A12CNR2
SCHEMBL17899864 0.69 SLC22A12 (0.75) SLC22A12KDM4ETDP1MAPTPPARA
SCHEMBL28856524 0.69 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A11MAPTABCG2
SCHEMBL17899890 0.69 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2

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-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 — — CN disclosed
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