SCHEMBL20117208

SCHEMBL20117208

CC(C)(C)CC(=O)N1CCN(c2nc(-c3ccc(C=N)c(NC4COC4)c3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SMO Q99835 2/20 0.35
FAAH O00519 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL20676648 0.89 MAPT (0.40) MAPTLMNAHTTNPC1TP53
SCHEMBL20116723 0.87 LMNA (0.42) LMNASMO
SCHEMBL20676712 0.85 GRM5 (0.40)
SCHEMBL20116879 0.83 MAPT (0.36) MAPTLMNAHTTNPC1TP53
SCHEMBL20116844 0.78 MAPT (0.35) MAPTLMNAHTTNPC1MEN1
SCHEMBL20116146 0.77 MAPT (0.41) MAPTLMNAHTTNPC1TP53
SCHEMBL20117300 0.75 FAAH (0.39) FAAH
SCHEMBL20117187 0.75 MAPT (0.44) MAPTLMNAHTTNPC1TP53
SCHEMBL20676430 0.75 LMNA (0.41) LMNAHTTSMN1; SMN2SMO
SCHEMBL20676567 0.74 LMNA (0.44) MAPTLMNAHTTSMN1; SMN2SMO

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