SCHEMBL479416

SCHEMBL479416

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1cc(Br)c(CN(C)C)c(Br)c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 1/20 0.38
RAF1 P04049 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RAB9A P51151 3/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
AGTR1 P30556 1/20 0.34
LMNA P02545 3/20 0.34
ROCK2 O75116 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
SCHEMBL479418 1.00 TP53 (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL479419 1.00 TP53 (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL2566919 0.92 RXFP1 (0.42) TP53POLBTHRBALDH1A1KDM4E
SCHEMBL2121637 0.92 RXFP1 (0.42) TP53POLBTHRBALDH1A1KDM4E
SCHEMBL479572 0.90 TP53 (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL479573 0.90 TP53 (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL2568995 0.90 TP53 (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL480653 0.89 KMT2A (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL3676545 0.89 KMT2A (0.39) TP53POLBTHRBBLMTDP1
SCHEMBL436223 0.87 ROCK2 (0.41) TP53POLBTHRBBLMTDP1

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