SCHEMBL28488461

SCHEMBL28488461

CCOC(=O)c1nc(-c2ccc(O)c(C#N)c2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PGR P06401 1/20 0.44
CHRM1 P11229 1/20 0.44
PDE4A P27815 1/20 0.44
BLVRB P30043 1/20 0.44
TARBP2 Q15633 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TRPM8 Q7Z2W7 6/20 0.44
F11 P03951 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
MAPT P10636 2/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HPGD P15428 1/20 0.41
CDC7 O00311 3/20 0.41

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
SCHEMBL30804867 0.84 CDC7 (0.58) XDHABCC4ABCB11PGRCHRM1
SCHEMBL469731 0.84 CDC7 (0.58) XDHABCC4ABCB11PGRCHRM1
SCHEMBL7907788 0.79 TRPM8 (0.56) TRPM8RARARARBRARGMAPT
SCHEMBL4448051 0.75 XDH (0.44) XDHABCC4ABCB11PGRCHRM1
SCHEMBL2880217 0.75 RARA (0.66) TARBP2TRPM8RARARARBRARG
SCHEMBL10552788 0.74 TARBP2 (0.57) TARBP2TRPM8RARARARBRARG
SCHEMBL22460192 0.74 CDC7 (0.67) RARARARBRARGCDC7DBF4
SCHEMBL1331560 0.74 F11 (0.41) XDHF11MAPTFNTAFNTB
SCHEMBL19523349 0.73 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523342 0.73 XDH (0.65) 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-211886469-U Stirring device for febuxostat production transfer 江苏九阳生物制药有限公司 2020-11-10 CN disclosed