SCHEMBL2559401

SCHEMBL2559401

O=C(O)C1=Cc2cnccc2Oc2ccc(-c3cccnc3F)cc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.42
CTSD P07339 10/20 0.42
MAPT P10636 2/20 0.41
DHODH Q02127 4/20 0.39
LMNA P02545 1/20 0.36

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
SCHEMBL2558533 0.80 MAPT (0.49) BACE1CTSDMAPT
SCHEMBL4038495 0.78 LMNA (0.52) MAPTDHODHLMNA
SCHEMBL2371711 0.64 BACE1 (0.41) BACE1CTSDMAPT
SCHEMBL29889779 0.64 CYP2A6 (0.55) MAPTLMNA
SCHEMBL4043208 0.63 LMNA (0.70) LMNA
SCHEMBL24631747 0.62 LMNA (0.40) MAPTLMNA
SCHEMBL3274614 0.62 BACE1 (0.81) BACE1CTSD
Hydrochloric Acid SCHEMBL4045240 0.62 LMNA (0.68) LMNA
SCHEMBL2372090 0.61 BACE1 (0.49) BACE1CTSD
SCHEMBL2827619 0.61 LMNA (0.59) MAPTLMNA

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