SCHEMBL29159767

SCHEMBL29159767

O=C(O)c1csc(C(O)c2cccc(Br)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ECE1 P42892 1/20 0.34

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
SCHEMBL29159988 0.84 TLR7 (0.43) HDAC1HDAC8HDAC6TLR7ALDH1A1
SCHEMBL29159855 0.81 RAB9A (0.48) TDP1ALDH1A1L3MBTL1
SCHEMBL3811513 0.73 S1PR2 (0.38) ALDH1A1
SCHEMBL314037 0.70 TLR7 (0.53) HDAC1HDAC8HDAC6KDM4ETLR7
SCHEMBL28780142 0.70 PTPN1 (0.42) HDAC1HDAC8HDAC6KDM4ETDP1
SCHEMBL3509454 0.69 LMNA (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29232872 0.69 L3MBTL1 (0.47) HDAC1HDAC8HDAC6KDM4ETLR7
SCHEMBL3838201 0.69 S1PR2 (0.47) KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL4989 0.68 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29940784 0.68 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1

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-117295729-A Carboxy-benzimidazole GLP-1R modulating compounds 吉利德科学公司 2023-12-26 — — CN disclosed
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