SCHEMBL19983318

SCHEMBL19983318

CC(C)(C)OC(=O)NCCCCC(NC(=O)C1CCCC1)C(=O)Cn1ncnn1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.42
KMT2A Q03164 9/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL19983317 1.00 MEN1 (0.42) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL19983229 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL19983230 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL19982937 0.81 CTSB (0.51)
SCHEMBL19982935 0.81 CTSB (0.51)
SCHEMBL28344129 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1ITGB3
SCHEMBL19983275 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1ITGB3
SCHEMBL17646306 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1ITGB3
SCHEMBL25659953 0.79 TDP1 (0.44) MEN1KMT2AALDH1A1TDP1ITGB3
SCHEMBL19982985 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1TDP1ITGB3

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-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed