SCHEMBL29170089

SCHEMBL29170089

N#Cc1ccc(C(O)c2cccc(Cl)n2)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ MAPK10 P53779 1/20 0.31
▸ HSD11B1 P28845 3/20 0.31
▸ SCN9A Q15858 5/20 0.31
▸ PTGES O14684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ PIN1 Q13526 1/20 0.30
▸ EEF2K O00418 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL29170101 0.81 L3MBTL1 (0.39) L3MBTL1CA1CA2HSD11B1SCN9A
SCHEMBL28786609 0.81 L3MBTL1 (0.39) L3MBTL1SCN9A
SCHEMBL29170087 0.79 L3MBTL1 (0.37) L3MBTL1CA1CA2HSD11B1SCN9A
SCHEMBL29170142 0.78 L3MBTL1 (0.36) L3MBTL1HSD11B1SCN9AEEF2K
SCHEMBL29170154 0.71 SCN9A (0.31) MAPK10HSD11B1SCN9A
SCHEMBL14255710 0.70 EPHX2 (0.40) —
SCHEMBL29170111 0.69 CXCR2 (0.35) HSD11B1SCN9A
SCHEMBL22391829 0.68 PKM (0.34) HSD11B1SCN9A
SCHEMBL29170084 0.68 TTR (0.33) HSD11B1SCN9A
SCHEMBL28754410 0.68 EGLN2 (0.37) HSD11B1SCN9A

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-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 — — CN disclosed
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