SCHEMBL25442725

SCHEMBL25442725

CN(C)c1ccc(NCc2ccccc2O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ RAB9A P51151 5/20 0.53
▸ HPGD P15428 3/20 0.53
▸ GFER P55789 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CA12 O43570 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ GAA P10253 3/20 0.45
▸ NOX4 Q9NPH5 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL25167178 0.85 MAPT (0.49) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25166952 0.78 MAPT (0.44) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25168109 0.78 RAB9A (0.57) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25442724 0.78 RAB9A (0.53) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL2463521 0.77 MAPT (0.68) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25167895 0.77 MAPT (0.48) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL11593766 0.76 MAPT (0.81) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25442712 0.74 RAB9A (0.60) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25442728 0.74 HPGD (0.50) MAPTRAB9AHPGDGFERKDM4E
SCHEMBL25442727 0.73 HPGD (0.49) MAPTRAB9AHPGDGFERKDM4E

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
EP-4177246-A1 FUSED OXAZEPINES AS INHIBITORS OF PEROXIREDOXINS Centro Atlántico del Medicamento, SA (ES) 2023-05-10 — — EP disclosed
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