SCHEMBL8867804

SCHEMBL8867804

Cc1nc(-c2ccc(OCC(C)C)c([N+](=O)[O-])c2)sc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.67
TARBP2 Q15633 2/20 0.67
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
PGR P06401 1/20 0.67
CHRM1 P11229 1/20 0.67
PDE4A P27815 1/20 0.67
BLVRB P30043 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.67
RAB9A P51151 1/20 0.56
PPID Q08752 1/20 0.48

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
SCHEMBL8868412 0.90 XDH (0.55) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8866792 0.90 XDH (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8868737 0.90 XDH (0.55) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL469541 0.89 XDH (0.54) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867941 0.89 RAB9A (0.59) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867848 0.86 XDH (0.66) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867462 0.86 RAB9A (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL21156694 0.85 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8868384 0.84 RAB9A (0.54) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867459 0.84 RAB9A (0.54) 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
CN-109320474-A A kind of preparation method of Febustat 昆明源瑞制药有限公司 2019-02-12 CN 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