SCHEMBL14397348

SCHEMBL14397348

CCN1C(=O)c2cccc3c(NCCCCCn4cc[n+](CCCC[n+]5ccn(CCCCCNc6ccc7c8c(cccc68)C(=O)N(CC)C7=O)c5)c4)ccc(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 4/20 0.55
MEN1 O00255 3/20 0.55
USP2 O75604 2/20 0.55
ATM Q13315 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
RGS12 O14924 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
TLR9 Q9NR96 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 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 0.98 KMT2A (0.55) KMT2AMAPTHTTMEN1USP2
SCHEMBL20080445 0.95 KMT2A (0.56) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760767 0.94 KMT2A (0.54) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760764 0.92 KMT2A (0.54) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760760 0.90 MEN1 (0.55) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760751 0.88 MEN1 (0.55) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760787 0.88 MEN1 (0.55) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760808 0.86 MEN1 (0.52) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760739 0.85 MEN1 (0.51) KMT2AMAPTHTTMEN1USP2
SCHEMBL1760809 0.85 MEN1 (0.51) KMT2AMAPTHTTMEN1USP2

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
WO-2007110530-A2 SPECIFIC DYES OF NAPHTHALIMIDE TYPE, DYEING COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USES L'OREAL (FR) 2007-10-04 WO disclosed