SCHEMBL22745390

SCHEMBL22745390

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC(O)(C=O)CC(O)C(O)CO

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 11/20 0.63
▸ ABCC4 O15439 1/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ PGR P06401 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ PDE4A P27815 1/20 0.63
▸ BLVRB P30043 1/20 0.63
▸ TARBP2 Q15633 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.63
▸ PPID Q08752 1/20 0.58
▸ S1PR1 P21453 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL22745216 0.82 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31307441 0.82 XDH (0.81) XDHABCC4ABCB11PGRCHRM1
SCHEMBL22916848 0.81 XDH (0.72) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31217670 0.81 XDH (0.72) XDHABCC4ABCB11PGRCHRM1
SCHEMBL22745217 0.81 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL2635992 0.79 XDH (0.83) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL30161803 0.78 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
SCHEMBL16363788 0.78 XDH (0.85) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL29398803 0.78 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL28271887 0.78 XDH (1.00) 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
EP-3744720-A1 THIAZOLE-5-FORMIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Xiangbei Welman Pharmaceutical Co., Ltd (CN) 2020-12-02 — — EP disclosed
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