SCHEMBL2558533

SCHEMBL2558533

Fc1ncccc1-c1ccc2c(c1)C=Cc1cnccc1O2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
BACE1 P56817 15/20 0.45
CTSD P07339 9/20 0.45
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.39

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
SCHEMBL2559401 0.80 BACE1 (0.42) MAPTBACE1CTSD
SCHEMBL29889779 0.68 CYP2A6 (0.55) MAPTCYP11B2CYP11B1
SCHEMBL7710659 0.68 BACE1 (0.70) BACE1CTSD
SCHEMBL29889660 0.68 MAPT (0.49) MAPTBACE1CTSDCYP11B2CYP11B1
SCHEMBL2489325 0.68 MAPT (0.49) MAPTBACE1CTSDCYP11B2CYP11B1
SCHEMBL3274614 0.68 BACE1 (0.81) BACE1CTSD
SCHEMBL2371711 0.67 BACE1 (0.41) MAPTBACE1CTSDCYP11B2
SCHEMBL30150912 0.67 CYP11B2 (0.45) MAPTBACE1CTSDCYP11B2CYP11B1
SCHEMBL30150911 0.67 CYP11B2 (0.45) MAPTBACE1CTSDCYP11B2CYP11B1
SCHEMBL3881160 0.64 CYP11B2 (0.50) MAPTCYP11B2CYP11B1

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
WO-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed