SCHEMBL20080445

SCHEMBL20080445

CCCN1C(=O)c2cccc3c(NCCCn4cc[n+](CCCCCNc5ccc6c7c(cccc57)C(=O)N(CC)C6=O)c4)ccc(c23)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 3/20 0.56
USP2 O75604 2/20 0.56
MAPK1 P28482 2/20 0.56
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RGS12 O14924 1/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TLR9 Q9NR96 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
DYRK3 O43781 1/20 0.51
RPS6KB1 P23443 1/20 0.51
EPHA2 P29317 1/20 0.51
FLT4 P35916 1/20 0.51
CSNK2A1 P68400 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49

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
SCHEMBL1760746 0.96 KMT2A (0.55) KMT2AMEN1MAPTHTTUSP2
SCHEMBL14397348 0.95 KMT2A (0.55) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760764 0.93 KMT2A (0.54) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760767 0.91 KMT2A (0.54) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760787 0.89 MEN1 (0.55) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760760 0.87 MEN1 (0.55) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760751 0.85 MEN1 (0.55) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760808 0.85 MEN1 (0.52) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760739 0.83 MEN1 (0.51) KMT2AMEN1MAPTHTTUSP2
SCHEMBL1760809 0.83 MEN1 (0.51) KMT2AMEN1MAPTHTTUSP2

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-1963436-B1 SPECIFIC DYES OF NAPHTHALIMIDE TYPE, DYEING COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USES OREAL (FR) 2018-04-25 EP disclosed