SCHEMBL29580203

SCHEMBL29580203

O=c1[nH]c2ccccc2n(CCO)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.57
▸ GRIA2 P42262 2/20 0.57
▸ GRIA3 P42263 2/20 0.57
▸ GRIA4 P48058 2/20 0.57
▸ PARP1 P09874 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DAO P14920 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL24335550 1.00 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29580047 0.90 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL24335150 0.90 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL763166 0.83 LMNA (0.64) MEN1CYP1A2KMT2AHPGDLMNA
SCHEMBL30898291 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL30898292 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL7318966 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL5549601 0.80 MPO (0.55) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL30530473 0.80 KDM4E (0.54) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL982104 0.79 CYP1A2 (0.69) GRIA1GRIA2GRIA3GRIA4PARP1

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
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