SCHEMBL26095061

SCHEMBL26095061

C=C(C=O)c1ccc(N(c2ccc(C(=C)C=O)cc2)c2ccc(C(=C)C=O)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL3628327 0.76 MAPT (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27750184 0.74 CES2 (0.48) MEN1KMT2AMAPT
SCHEMBL5379818 0.74 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL7094841 0.74 CES2 (0.48) ALDH1A1MAPTHPGD
SCHEMBL58595 0.73 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3622034 0.71 MAPT (0.57) ALDH1A1MAPTHPGD
SCHEMBL28128037 0.71 CA2 (0.52) ALDH1A1MAPT
SCHEMBL16926926 0.71 THRB (0.58) MEN1KMT2AALDH1A1MAPT
SCHEMBL6936926 0.70 NAPRT (0.46) MEN1KMT2AALDH1A1HPGD
SCHEMBL27654002 0.70 PARP10 (0.55) KMT2AALDH1A1MAPTHPGD

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-4173621-A1 PHARMACEUTICAL COMPOSITION, ITS USE AS A DRUG AND NEW COMPOUNDS, ESPECIALLY FOR TREATING SARS-COV-2 INFECTION Université de Bordeaux (FR) 2023-05-03 EP disclosed