SCHEMBL8560759

SCHEMBL8560759

[c]1ccc(Oc2ccc3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCF1 P14598 2/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX5 P09917 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38

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
SCHEMBL31595897 0.85 HTT (0.58) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL199906 0.85 HTT (0.58) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL28342438 0.83 HTT (0.56) HTTALDH1A1CYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL27672403 0.83 HTT (0.56) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1131286 0.80 NCF1 (0.50) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL31498821 0.80 NCF1 (0.50) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL4655065 0.79 HTT (0.45) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8617215 0.79 NPC1 (0.46) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL12386818 0.79 HTT (0.63) HTTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL11694952 0.79 NPC1 (0.63) HTTALDH1A1CYP1A2MEN1KMT2A

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 1 patent. 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