SCHEMBL20116799

SCHEMBL20116799

Cn1ncc2ccc(-c3noc(N4CCN(C=O)CC4)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
THRB P10828 2/20 0.41
GAA P10253 1/20 0.41
SCD5 Q86SK9 1/20 0.41
LMNA P02545 5/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
CDK8 P49336 3/20 0.40
FASN P49327 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PIK3CA P42336 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
BRD4 O60885 1/20 0.38
CCNC P24863 1/20 0.38
TP53 P04637 3/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL20117183 0.86 MAPT (0.40) MAPTTHRBGAALMNAHTT
SCHEMBL20676527 0.83 MAPT (0.37) MAPTTHRBGAALMNAHTT
SCHEMBL20116370 0.79 MAPT (0.51) MAPTTHRBLMNAHTTNPC1
SCHEMBL20676306 0.78 MAPT (0.40) MAPTTHRBGAASCD5LMNA
SCHEMBL20676639 0.76 MAPT (0.37) MAPTTHRBGAASCD5LMNA
SCHEMBL20116871 0.74 MAPT (0.41) MAPTTHRBGAALMNAHTT
SCHEMBL20676500 0.74 BRD4 (0.35) MAPTTHRBGAASCD5LMNA
SCHEMBL20116761 0.71 MAPT (0.37) MAPTTHRBGAALMNAHTT
SCHEMBL20117171 0.70 MAPT (0.44) MAPTTHRBLMNAHTTNPC1
SCHEMBL22358261 0.70 HDAC4 (0.43) MAPTTHRBLMNAHTTNPC1

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