SCHEMBL479766

SCHEMBL479766

CC/C(Nc1ccc(CN(C)C)cc1)=C1\C(=O)Nc2cc(C(=O)OC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CASP1 P29466 1/20 0.40
ROCK2 O75116 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LSS P48449 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BACE1 P56817 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2119693 1.00 KMT2A (0.40) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL2572117 1.00 KMT2A (0.40) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL479842 0.92 CASP1 (0.41) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL2569108 0.92 CASP1 (0.41) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL2568481 0.92 RXFP1 (0.44) KMT2AMAPTALDH1A1RXFP1POLB
SCHEMBL2118006 0.92 RXFP1 (0.44) KMT2AMAPTALDH1A1RXFP1POLB
SCHEMBL479555 0.92 RXFP1 (0.44) KMT2AMAPTALDH1A1RXFP1POLB
SCHEMBL2571689 0.88 KMT2A (0.42) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL2119775 0.88 KMT2A (0.42) KMT2ACTDSP1CASP1ROCK2CYP3A4
SCHEMBL479403 0.87 KMT2A (0.44) KMT2ACTDSP1CASP1MAPTALDH1A1

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