SCHEMBL8869072

SCHEMBL8869072

Cc1nc(-c2ccc(OCCC(C)C)c(C#N)c2)sc1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.81
▸ TARBP2 Q15633 2/20 0.81
▸ ABCC4 O15439 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ PGR P06401 1/20 0.81
▸ CHRM1 P11229 1/20 0.81
▸ PDE4A P27815 1/20 0.81
▸ BLVRB P30043 1/20 0.81
▸ HDAC6 Q9UBN7 1/20 0.81
▸ ABCG2 Q9UNQ0 1/20 0.81
▸ PPID Q08752 1/20 0.56

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
Febuxostat SCHEMBL29398803 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL249339 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL28271887 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL30161803 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL27935500 0.89 XDH (0.98) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL27935497 0.89 XDH (0.98) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30253977 0.89 XDH (0.76) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL27895928 0.89 XDH (0.76) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL2635494 0.88 XDH (0.96) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30804874 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802907-B2 2-aryl selenazole compound and pharmaceutical composition thereof JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2017-10-31 — — US disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 — — US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 — — EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 — — EP disclosed
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