SCHEMBL29580274

SCHEMBL29580274

Cc1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.74
HCAR3 P49019 2/20 0.54
PRSS1 P07477 4/20 0.53
MAPT P10636 4/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.51
PKM P14618 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
SCHEMBL4858189 1.00 KAT2B (0.74) KAT2BHCAR3PRSS1MAPTTHRB
SCHEMBL4863416 0.96 KAT2B (0.72) KAT2BHCAR3PRSS1MAPTTHRB
SCHEMBL29377506 0.91 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1TSHR
SCHEMBL24076 0.91 KAT2B (0.69) KAT2BHCAR3MAPTALDH1A1TSHR
SCHEMBL7970570 0.86 KAT2B (0.71) KAT2BHCAR3PRSS1MAPTTHRB
SCHEMBL14906561 0.85 KAT2B (0.74) KAT2BHCAR3PRSS1MAPTTHRB
SCHEMBL29416813 0.85 KAT2B (1.00) KAT2BPRSS1MAPTALDH1A1POLB
SCHEMBL10113238 0.85 KAT2B (1.00) KAT2BPRSS1MAPTALDH1A1POLB
SCHEMBL4640284 0.84 KAT2B (0.64) KAT2BHCAR3MAPTALDH1A1TSHR
SCHEMBL16151564 0.84 KAT2B (0.72) KAT2BHCAR3PRSS1MAPTTHRB

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