SCHEMBL29460288

SCHEMBL29460288

CCCCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1C#N

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 9/20 0.74
▸ ABCC4 O15439 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ PGR P06401 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ PDE4A P27815 1/20 0.74
▸ BLVRB P30043 1/20 0.74
▸ TARBP2 Q15633 1/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.74
▸ ABCG2 Q9UNQ0 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL27895928 0.95 XDH (0.76) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30253977 0.95 XDH (0.76) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29183566 0.91 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30804875 0.91 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523341 0.90 XDH (0.79) XDHABCC4ABCB11PGRCHRM1
SCHEMBL8866996 0.90 XDH (0.72) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30804874 0.90 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29183564 0.90 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL4457485 0.89 XDH (0.59) XDHABCC4ABCB11PGRCHRM1
SCHEMBL8869072 0.88 XDH (0.81) XDHABCC4ABCB11PGRCHRM1

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-114149383-A Febuxostat impurity 广东东阳光药业有限公司 2022-03-08 — — CN disclosed
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