SCHEMBL20117111

SCHEMBL20117111

CC(C)n1ncc2ccc(-c3noc(N4CCN(C(O)CC5(C)CC5)CC4)n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 4/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.32
PIK3CD O00329 1/20 0.31
ALOX5AP P20292 1/20 0.31
PTGER3 P43115 1/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL20116712 0.83 MAPT (0.41) MAPTGAALMNANPC1HTT
SCHEMBL20116871 0.80 MAPT (0.41) MAPTGAALMNANPC1HTT
SCHEMBL20116774 0.79 MAPT (0.37) MAPTGAALMNANPC1HTT
SCHEMBL20116249 0.79 MAPT (0.36) MAPTGAALMNANPC1HTT
SCHEMBL20116724 0.78 MAPT (0.45) MAPTGAALMNANPC1HTT
SCHEMBL20116036 0.78 MAPT (0.42) MAPTGAALMNATP53PIK3CD
SCHEMBL20117183 0.78 MAPT (0.40) MAPTGAALMNANPC1HTT
SCHEMBL20116478 0.77 MAPT (0.39) MAPTGAALMNANPC1HTT
SCHEMBL20117123 0.77 MAPT (0.61) MAPTGAALMNANPC1HTT
SCHEMBL22358259 0.76 MAPT (0.51) MAPTGAALMNANPC1HTT

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed