SCHEMBL4046701

SCHEMBL4046701

CC(C)CNC(=O)c1cccc(OBOc2cccc(C(=O)NCC(C)C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
GAA P10253 2/20 0.69
HSD17B10 Q99714 1/20 0.69
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
GPR139 Q6DWJ6 2/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46
MMP13 P45452 1/20 0.45

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
SCHEMBL3995095 0.84 SMN1; SMN2 (0.52) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL177726 0.82 NPSR1 (0.55) KMT2ALMNAMEN1NPSR1GPR139
SCHEMBL1490845 0.81 L3MBTL1 (0.61) KMT2AGAAHPGDMEN1POLB
SCHEMBL4552863 0.80 ALDH1A1 (0.57) KMT2AGAALMNAHPGDMEN1
SCHEMBL23665815 0.80 KMT2A (0.64) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL177578 0.79 SMN1; SMN2 (0.70) KMT2AGAAHPGDMEN1
SCHEMBL190231 0.79 HDAC8 (0.56) KMT2AHPGDMEN1NPSR1KDM4E
SCHEMBL161881 0.77 KMT2A (0.81) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL161880 0.77 GAA (0.81) KMT2AGAAHSD17B10LMNAHPGD
SCHEMBL1753831 0.77 KMT2A (0.81) KMT2AGAAHSD17B10LMNAHPGD

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
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed