SCHEMBL31737098

SCHEMBL31737098

Cn1c(=O)n(C)c2cc(CNc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ PKM P14618 3/20 0.51
▸ POLB P06746 2/20 0.49
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TP53 P04637 6/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ GAA P10253 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL31737848 0.80 MAPT (0.48) MAPTPKMPOLBALDH1A1
SCHEMBL31737070 0.80 POLB (0.53) MAPTPKMPOLBTHRBTP53
SCHEMBL30832833 0.79 PKM (0.63) MAPTL3MBTL1PKMPOLBMAPK1
SCHEMBL20772927 0.79 PKM (0.63) MAPTL3MBTL1PKMPOLBMAPK1
SCHEMBL7164868 0.78 MAPT (0.84) MAPTL3MBTL1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7170786 0.77 MAPT (0.68) MAPTL3MBTL1MAPK1SMN1; SMN2SIRT6
SCHEMBL10360050 0.74 MAPT (0.73) MAPTL3MBTL1POLBMAPK1ALDH1A1
SCHEMBL10353546 0.74 MAPT (0.72) MAPTL3MBTL1MAPK1GAASMN1; SMN2
SCHEMBL13941340 0.74 MAPT (0.59) MAPTL3MBTL1POLBMAPK1SIRT6
SCHEMBL102602 0.74 MAPT (0.77) MAPTL3MBTL1MAPK1GAASMN1; SMN2

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-2025245367-A1 INHIBITING CATECHOL-O-METHYLTRANSFERASE (COMT) PSY THERAPEUTICS, INC. (US) 2025-11-27 — — WO disclosed
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