SCHEMBL20117183

SCHEMBL20117183

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 6/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 1/20 0.34
PTGER3 P43115 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL20676639 0.89 MAPT (0.37) MAPTTHRBGAALMNAHTT
SCHEMBL20116871 0.89 MAPT (0.41) MAPTTHRBGAALMNAHTT
SCHEMBL20676500 0.87 BRD4 (0.35) MAPTTHRBGAALMNATP53
SCHEMBL20116799 0.86 MAPT (0.41) MAPTTHRBGAALMNAHTT
SCHEMBL20116804 0.84 MAPT (0.34) MAPTTP53KDM4EALDH1A1PIK3CD
SCHEMBL22358261 0.84 HDAC4 (0.43) MAPTTHRBLMNAHTTNPC1
SCHEMBL22358259 0.82 MAPT (0.51) MAPTTHRBGAALMNAHTT
SCHEMBL20116749 0.82 NR1H4 (0.45) GAALMNAHTTNPC1KDM4E
SCHEMBL20117171 0.81 MAPT (0.44) MAPTTHRBLMNAHTTNPC1
SCHEMBL20117123 0.81 MAPT (0.61) MAPTTHRBGAALMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed