SCHEMBL20116718

SCHEMBL20116718

CC(C)Nc1cc(-c2noc(N3CCN(C(=O)CC4(C)CC4)CC3)n2)ccc1C=N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 2/20 0.35
SMO Q99835 6/20 0.35
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 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
SCHEMBL20117187 0.87 MAPT (0.44) MAPTLMNANPC1HTTTP53
SCHEMBL20676645 0.85 KIT (0.40) MAPTLMNATP53SMOPOLB
SCHEMBL20116725 0.81 MAPT (0.39) MAPTLMNANPC1HTTFAAH
SCHEMBL20116872 0.81 MAPT (0.40) MAPTLMNANPC1HTTTP53
SCHEMBL20116816 0.79 TBK1 (0.39) HTTSMO
SCHEMBL20116844 0.76 MAPT (0.35) MAPTLMNANPC1HTT
SCHEMBL20116803 0.76 MAPT (0.38) MAPTLMNANPC1HTTTP53
SCHEMBL20116712 0.76 MAPT (0.41) MAPTLMNANPC1HTTTP53
SCHEMBL20676430 0.75 LMNA (0.41) LMNAHTTSMOGAA
SCHEMBL20676648 0.74 MAPT (0.40) MAPTLMNANPC1HTTTP53

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