SCHEMBL21394858

SCHEMBL21394858

CCC(C)NC(=O)c1ccc(=O)n(C)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1778675 0.79 MEN1 (0.46) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL1778116 0.79 MEN1 (0.46) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL21394860 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL2898384 0.78 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL286957 0.73 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL22479596 0.72 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL18157898 0.71 MEN1 (0.56) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL2890719 0.71 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL31728945 0.70 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL13210632 0.70 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ARAB9A

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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed