SCHEMBL28856515

SCHEMBL28856515

CCOC(=O)C(C)(C)Sc1ccc(-c2ccnc3ccccc23)s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.43
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ AAK1 Q2M2I8 7/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ACVR1 Q04771 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
SCHEMBL29896764 0.88 ALDH1A1 (0.36) SLC22A12TP53ALDH1A1PTGDR2
SCHEMBL28856556 0.88 ALDH1A1 (0.36) SLC22A12TP53ALDH1A1PTGDR2
SCHEMBL29896755 0.86 AAK1 (0.39) AAK1
SCHEMBL28856550 0.86 SMN1; SMN2 (0.37) SLC22A12TP53ALDH1A1PRNP
SCHEMBL28856498 0.86 AAK1 (0.39) AAK1
SCHEMBL28856545 0.86 PPOX (0.37) SLC22A12TP53ALDH1A1PRNP
SCHEMBL29896802 0.86 SMN1; SMN2 (0.37) SLC22A12TP53ALDH1A1PRNP
SCHEMBL28856531 0.85 SLC22A12 (0.58) SLC22A12CA12CA1CA2CA9
SCHEMBL28856519 0.84 SLC22A12 (0.38) SLC22A12TP53ALDH1A1PRNP
SCHEMBL28856529 0.83 TP53 (0.33) SLC22A12TP53ALDH1A1

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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