SCHEMBL25313017

SCHEMBL25313017

O=C(O)Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 18/20 0.64
ALDH1A1 P00352 8/20 0.64
MAPK1 P28482 3/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL7809558 0.89 MAPT (0.67) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL25318094 0.85 MAPT (0.72) MAPTALDH1A1MAPK1KMT2A
SCHEMBL25315369 0.83 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL29524516 0.83 MAPT (0.64) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL23581164 0.81 MAPK1 (0.57) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL1844193 0.81 MAPT (0.74) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL28505774 0.81 MAPT (0.54) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL940811 0.80 MAPT (0.78) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL22778043 0.80 MAPT (0.79) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL18036523 0.79 MAPT (0.75) MAPTALDH1A1MAPK1PKMKMT2A

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-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed