SCHEMBL8563275

SCHEMBL8563275

O=[N+]([O-])c1ccc(Oc2ccc3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
LMNA P02545 4/20 0.68
HTT P42858 3/20 0.68
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
NPC1 O15118 2/20 0.52
HSPB1 P04792 2/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11109000 0.79 HTT (0.47) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL199906 0.78 HTT (0.58) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL31595897 0.78 HTT (0.58) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL29287094 0.78 NQO2 (0.46) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL22926807 0.77 HSPB1 (0.60) RAB9ALMNAHTTALDH1A1MAPT
SCHEMBL30465466 0.77 RAB9A (0.44) RAB9ALMNAHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27672403 0.77 HTT (0.56) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL28342438 0.77 HTT (0.56) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL11012312 0.76 HTT (0.68) RAB9ALMNAHTTALDH1A1KDM4E
SCHEMBL10847357 0.76 AR (0.51) RAB9ALMNAHTTALDH1A1KDM4E

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed