SCHEMBL29851986

SCHEMBL29851986

O=C(O)c1[nH]nnc1-c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.52
▸ ACMSD Q8TDX5 1/20 0.47
▸ CTRC Q99895 1/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ ALPL P05186 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ GRK6 P43250 1/20 0.40
▸ HAO1 Q9UJM8 2/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAP2K4 P45985 1/20 0.38

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
SCHEMBL23294478 1.00 CA12 (0.52) CA12ACMSDCTRCESR1ESR2
SCHEMBL29852112 0.94 CA12 (0.55) CA12ACMSDCTRCESR1ESR2
SCHEMBL23294462 0.94 CA12 (0.55) CA12ACMSDCTRCESR1ESR2
SCHEMBL29852146 0.93 CA12 (0.47) CA12ACMSDCTRCESR1ESR2
SCHEMBL23294396 0.93 CA12 (0.47) CA12ACMSDCTRCESR1ESR2
SCHEMBL23303650 0.87 KMO (0.46) ACMSDHAO1MAP2K4
SCHEMBL31246119 0.87 KMO (0.46) ACMSDHAO1MAP2K4
SCHEMBL23294375 0.86 MAP2K4 (0.45) ALPLHAO1MAPK10MAP2K4
SCHEMBL23294477 0.86 MAP2K4 (0.45) ALPLHAO1MAPK10MAP2K4
SCHEMBL23294619 0.86 MAP2K4 (0.45) CA12CTRCALPLHAO1ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929676-B Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2025-04-29 — — CN disclosed
CN-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 — — CN disclosed
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