SCHEMBL14619635

SCHEMBL14619635

CCC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)CC)nc(NC(=O)C(C)(C)CC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RIPK1 Q13546 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR1 P21554 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13455246 0.87 LMNA (0.39) LMNAPOLBRIPK1L3MBTL1NPC1
SCHEMBL12976000 0.82 LMNA (0.35) LMNAPOLBRIPK1L3MBTL1NPC1
SCHEMBL16316421 0.77 ADORA1 (0.56) LMNAPOLBL3MBTL1NPC1RAB9A
SCHEMBL1948564 0.74 CNR2 (0.50) LMNAPOLBRIPK1L3MBTL1CNR2
SCHEMBL12226380 0.74 L3MBTL1 (0.61) LMNAPOLBRIPK1L3MBTL1CNR2
SCHEMBL14108279 0.73 MEN1 (0.41) LMNAPOLBL3MBTL1MEN1KMT2A
SCHEMBL14612453 0.72 MEN1 (0.46) CNR2MEN1KMT2AADORA1CNR1
SCHEMBL17829466 0.72 BRD4 (0.39) LMNAPOLBRIPK1L3MBTL1NPC1
SCHEMBL13134415 0.71 MDM2 (0.52) LMNAPOLBL3MBTL1RAB9AMEN1
SCHEMBL14649768 0.71 GAA (0.43) LMNAPOLBRIPK1L3MBTL1NPC1

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
US-7179872-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-02-20 US disclosed