SCHEMBL28385945

SCHEMBL28385945

CCOC(=O)C(C)COc1ccc2cnsc2c1-c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 9/20 0.53
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XDH P47989 3/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ BLVRB P30043 1/20 0.35
▸ TARBP2 Q15633 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
SCHEMBL28388152 0.83 SLC22A12 (0.47) SLC22A12FNTAFNTBMMP2MMP3
SCHEMBL28384734 0.82 SLC22A12 (0.62) SLC22A12FNTAFNTBMAPTKDM4E
SCHEMBL28384719 0.82 SLC22A12 (0.49) SLC22A12FNTAFNTBMMP2MMP3
SCHEMBL17899874 0.80 SLC22A12 (0.54) SLC22A12FNTAFNTBKDM4EALDH1A1
SCHEMBL28388187 0.76 MMP2 (0.40) FNTAFNTBMMP2MMP3LMNA
SCHEMBL17899900 0.74 SLC22A12 (0.58) SLC22A12
SCHEMBL17899840 0.73 SLC22A12 (0.68) SLC22A12FNTAFNTB
SCHEMBL23129684 0.72 SLC22A12 (0.53) SLC22A12
SCHEMBL28386340 0.72 SLC22A12 (0.48) SLC22A12FNTAFNTBMAPTKDM4E
SCHEMBL28387543 0.71 SLC22A12 (0.48) SLC22A12

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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