SCHEMBL28856498

SCHEMBL28856498

CCOC(=O)C(C)(C)Sc1ccc(-c2ccnc3ccc(F)cc23)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PPOX P50336 3/20 0.37
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL29896755 1.00 AAK1 (0.39) AAK1MEN1POLBKMT2APPOX
SCHEMBL28856556 0.90 ALDH1A1 (0.36) MEN1KMT2APPOXNMT1PPARA
SCHEMBL29896764 0.90 ALDH1A1 (0.36) MEN1KMT2APPOXNMT1PPARA
SCHEMBL28856550 0.89 SMN1; SMN2 (0.37) MEN1KMT2APPOXPPARA
SCHEMBL29896802 0.89 SMN1; SMN2 (0.37) MEN1KMT2APPOXPPARA
SCHEMBL28856515 0.86 SLC22A12 (0.43) AAK1
SCHEMBL29896717 0.86 SLC22A12 (0.36) AAK1PPOXPPARA
SCHEMBL28856494 0.86 SLC22A12 (0.36) AAK1PPOXPPARA
SCHEMBL29896818 0.86 PPARA (0.42) AAK1PPARA
SCHEMBL28856562 0.86 PPARA (0.42) AAK1PPARA

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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