SCHEMBL31538134

SCHEMBL31538134

Nc1ccc2o[nH]c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ PARP1 P09874 3/20 0.43
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL9411282 0.84 DAO (0.61) DAONPC1RAB9ASMN1; SMN2MAPT
SCHEMBL481873 0.76 DAO (0.72) DAOAKR1C3AKR1C2PARP1
SCHEMBL14644667 0.76 DAO (0.53) DAOMAPTAKR1C3AKR1C2PARP1
SCHEMBL26124848 0.76 DAO (0.53) DAOAKR1C3AKR1C2
SCHEMBL482202 0.76 DAO (0.53) DAOAKR1C3AKR1C2PARP1
SCHEMBL8380003 0.73 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL482151 0.70 DAO (1.00) DAOSMN1; SMN2MAPTAKR1C3AKR1C2
SCHEMBL4381356 0.68 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL1166873 0.68 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2MAPTGFER
Formamide SCHEMBL5394856 0.67 DAO (0.81) DAOSMN1; SMN2MAPTAKR1C3KDM4E

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-120081832-A Novel sodium channel regulator 南京清普生物科技有限公司 2025-06-03 — — CN disclosed
CN-119731169-A Sodium channel regulator and application thereof 上海汇伦医药股份有限公司 2025-03-28 — — CN disclosed
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