SCHEMBL29851969

SCHEMBL29851969

O=C(O)c1[nH]nnc1-c1ccc2cc(-c3ccccc3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ CA12 O43570 1/20 0.43
▸ LDHA P00338 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CTRC Q99895 2/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ TDO2 P48775 2/20 0.37
▸ KMO O15229 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ HAO1 Q9UJM8 2/20 0.36

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
SCHEMBL23294467 1.00 NPC1 (0.45) NPC1RAB9ACA12LDHATP53
SCHEMBL23294396 0.86 CA12 (0.47) CA12LDHATP53CTRCHAO1
SCHEMBL29852146 0.86 CA12 (0.47) CA12LDHATP53CTRCHAO1
SCHEMBL29852112 0.84 CA12 (0.55) CA12CTRCHAO1
SCHEMBL23294462 0.84 CA12 (0.55) CA12CTRCHAO1
SCHEMBL23294475 0.82 ABL1 (0.37) CA12KMOHAO1
SCHEMBL29852148 0.82 ABL1 (0.37) CA12KMOHAO1
SCHEMBL23329266 0.81 NPC1 (0.45) NPC1RAB9ACA12CASP3SENP7
SCHEMBL23294498 0.80 HAO1 (0.45) NPC1RAB9ACA12CASP3SENP7
SCHEMBL29852162 0.80 HAO1 (0.45) NPC1RAB9ACA12CASP3SENP7

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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