SCHEMBL29064843

SCHEMBL29064843

O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPT P10636 11/20 0.55
POLB P06746 1/20 0.55
HTT P42858 4/20 0.54
GAA P10253 4/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
THRB P10828 1/20 0.53
AKR1B1 P15121 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL27653716 0.92 GAA (0.53) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL11199799 0.89 MAPT (0.68) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL27847152 0.86 MAPT (0.58) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL117687 0.83 GAA (0.56) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL8313808 0.83 MAPT (0.56) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL29392652 0.81 GAA (0.67) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL112411 0.81 GAA (0.67) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL116789 0.80 MAPT (0.53) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL9725555 0.80 MAPT (0.56) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL9795841 0.79 KMT2A (0.50) ALDH1A1MAPTPOLBHTTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232438-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE The Governors of the University of Alberta (CA) 2023-08-30 EP disclosed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed