SCHEMBL29580293

SCHEMBL29580293

O=[N+]([O-])c1cc(Cl)ccc1NCCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
ALDH1A1 P00352 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
PKM P14618 1/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PRSS1 P07477 4/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL2796146 1.00 MAPT (0.66) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL112296 0.91 ALDH1A1 (0.68) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL7973719 0.85 ALDH1A1 (0.85) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL23092834 0.84 MAPT (0.64) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL111519 0.84 PRSS1 (0.55) MAPTALDH1A1POLBSMN1; SMN2PKM
SCHEMBL6233037 0.84 ALDH1A1 (0.67) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL8645160 0.84 ALDH1A1 (0.57) MAPTALDH1A1POLBSMN1; SMN2PKM
SCHEMBL7602927 0.83 MAPT (0.64) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL4858189 0.82 KAT2B (0.74) MAPTALDH1A1POLBPKMTDP1
SCHEMBL8336041 0.82 ALDH1A1 (0.56) MAPTALDH1A1POLBSMN1; SMN2HTT

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 2 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
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed