SCHEMBL29323469

SCHEMBL29323469

CCC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 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 0.65
S1PR1 P21453 1/20 0.52
SLC22A12 Q96S37 1/20 0.51

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 SCHEMBL30161803 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL28271887 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL249339 0.90 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL16363788 0.90 XDH (0.85) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29655618 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31601 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL23390995 0.89 XDH (0.83) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635992 0.89 XDH (0.83) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL18174531 0.89 XDH (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140989-B1 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HEXAPHARMATEC CO LTD (KR) 2024-07-17 EP disclosed