SCHEMBL24856462

SCHEMBL24856462

O=C1/C(=C\O)c2ccccc2N1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
APP P05067 8/20 0.64
SNCA P37840 8/20 0.64
CES1 P23141 3/20 0.64
ALDH1A1 P00352 3/20 0.64
CHRM1 P11229 2/20 0.64
ALDH2 P05091 2/20 0.64
ALDH3A1 P30838 2/20 0.64
TRPA1 O75762 3/20 0.57
LRRK2 Q5S007 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ACHE P22303 1/20 0.53
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
CES2 O00748 1/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL29033842 0.85 TRPA1 (0.66) MAPTAPPSNCACES1ALDH1A1
SCHEMBL29033840 0.85 TRPA1 (0.66) MAPTAPPSNCACES1ALDH1A1
SCHEMBL1061470 0.85 TRPA1 (0.72) MAPTAPPSNCACES1ALDH1A1
SCHEMBL1061471 0.85 TRPA1 (0.72) MAPTAPPSNCACES1ALDH1A1
SCHEMBL7680134 0.83 MAPT (0.76) MAPTAPPSNCACES1ALDH1A1
SCHEMBL7680137 0.83 MAPT (0.76) MAPTAPPSNCACES1ALDH1A1
SCHEMBL12930303 0.82 TRPA1 (0.68) MAPTAPPSNCACES1ALDH1A1
SCHEMBL12930175 0.82 MAPT (0.61) MAPTAPPSNCACES1ALDH1A1
SCHEMBL396971 0.81 ALDH1A1 (0.72) MAPTAPPSNCACES1ALDH1A1
SCHEMBL12930297 0.81 MAPT (0.60) MAPTAPPSNCACES1ALDH1A1

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-2023277341-A1 ANTIVIRAL AGENT INCLUDING TRIAZINOINDOLE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-01-05 WO disclosed