SCHEMBL34473296

SCHEMBL34473296

O=Cc1cc2c(cc1[N+](=O)[O-])COC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ERN1 O75460 8/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ XDH P47989 1/20 0.35
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.33

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
SCHEMBL34474585 0.84 ACHE (0.39) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL11693815 0.77 MAPT (0.44) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL9215364 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL34473826 0.74 ATM (0.46) ALDH1A1CYP3A4MAPTVCAM1SMN1; SMN2
SCHEMBL34474086 0.74 MAPT (0.51) ALDH1A1CYP3A4MAPT
SCHEMBL31278966 0.74 TSHR (0.46) ALDH1A1CYP3A4MAPTVCAM1
SCHEMBL34474101 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4MAPTHSD17B10
SCHEMBL22271646 0.74 TSHR (0.46) ALDH1A1CYP3A4MAPTVCAM1
SCHEMBL22271535 0.74 ATM (0.46) ALDH1A1CYP3A4MAPTVCAM1SMN1; SMN2
SCHEMBL1425992 0.71 MAPT (0.59) ALDH1A1KDM4ECYP3A4MAPTALOX15

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
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 — — WO disclosed
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