SCHEMBL23957005

SCHEMBL23957005

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.72
▸ TARBP2 Q15633 2/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ PGR P06401 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ BLVRB P30043 1/20 0.72
▸ HDAC6 Q9UBN7 1/20 0.72
▸ ABCG2 Q9UNQ0 1/20 0.72
▸ PPID Q08752 1/20 0.65
▸ S1PR1 P21453 1/20 0.47
▸ SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL25828182 0.89 XDH (0.67) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL23957004 0.89 XDH (0.71) XDHTARBP2ABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL23932805 0.88 XDH (0.66) XDHTARBP2ABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL31006731 0.88 XDH (0.66) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31307441 0.88 XDH (0.81) XDHTARBP2ABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL23932891 0.88 XDH (0.70) XDHTARBP2ABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL31006730 0.88 XDH (0.70) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL22745199 0.88 XDH (0.78) XDHTARBP2ABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL29217413 0.87 XDH (0.69) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL25828169 0.87 XDH (0.69) 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
WO-2021215624-A1 NOVEL 2-ARYLTHIAZOLE DERIVATIVE OR SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME (주)헥사파마텍 (KR) 2021-10-28 — — WO disclosed
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