SCHEMBL479599

SCHEMBL479599

COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C(N)CCC(C)(C)N)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CASR P41180 2/20 0.34
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
PTPN1 P18031 1/20 0.33
LNPEP Q9UIQ6 2/20 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
SCHEMBL2117916 0.91 RAB9A (0.38) TP53L3MBTL1POLBTHRBBLM
SCHEMBL19133989 0.90 RAB9A (0.37) TP53L3MBTL1POLBTHRBBLM
SCHEMBL480691 0.90 RAB9A (0.37) TP53L3MBTL1POLBTHRBBLM
SCHEMBL480642 0.90 KMT2A (0.39) TP53L3MBTL1POLBTHRBBLM
SCHEMBL480721 0.88 CASP1 (0.37) TP53L3MBTL1POLBTHRBBLM
SCHEMBL2571389 0.88 CASR (0.35) TP53L3MBTL1POLBTHRBBLM
SCHEMBL480888 0.87 KMT2A (0.37) TP53L3MBTL1POLBTHRBBLM
SCHEMBL479566 0.87 CASR (0.40) TP53L3MBTL1POLBTHRBBLM
SCHEMBL19133992 0.87 CASR (0.37) TP53L3MBTL1POLBTHRBBLM
SCHEMBL479580 0.86 KMT2A (0.37) TP53L3MBTL1POLBTHRBBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed