SCHEMBL20116725

SCHEMBL20116725

CC(C)Nc1cc(-c2noc(N3CCN(C=O)CC3)n2)ccc1C=N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.34
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 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
SCHEMBL20116872 0.90 MAPT (0.40) MAPTTHRBGAALMNANPC1
SCHEMBL20676544 0.88 ACACB (0.35) MAPTTHRBGAALMNAMEN1
SCHEMBL20116721 0.85 SMO (0.40) MAPTTHRBGAALMNAMEN1
SCHEMBL20116879 0.83 MAPT (0.36) MAPTTHRBGAALMNANPC1
SCHEMBL20116798 0.83 KIT (0.42) MAPTGAALMNANPC1HTT
SCHEMBL20117187 0.82 MAPT (0.44) MAPTTHRBGAALMNANPC1
SCHEMBL20116726 0.81 KIT (0.43)
SCHEMBL20116718 0.81 MAPT (0.40) MAPTTHRBGAALMNANPC1
SCHEMBL20116686 0.80 MAPT (0.34) MAPTTHRBGAALMNAMEN1
SCHEMBL20676636 0.79 LMNA (0.46) MAPTGAALMNAHTTMEN1

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