SCHEMBL10076958

SCHEMBL10076958

COC(=O)CCN(CCOC1=CC(CO)NC(CO)=C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.35
SLC10A6 Q3KNW5 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 5/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL10077084 0.89 ALDH1A1 (0.39) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL526222 0.76 MAPT (0.41) TDP1MAPTSLC10A6MEN1KMT2A
SCHEMBL526223 0.72 TDP1 (0.40) TDP1MAPTSLC10A6MEN1KMT2A
SCHEMBL10077797 0.71 HIF1A (0.35) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL20089218 0.70 NR1D1 (0.51) TDP1MAPTSLC10A6MEN1KMT2A
SCHEMBL5640330 0.70 KMT2A (0.45) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL13242356 0.69 TDP1 (0.55) TDP1MAPTSLC10A6MEN1KMT2A
SCHEMBL17089907 0.69 NR1D1 (0.42) TDP1MAPTSLC10A6MEN1KMT2A
SCHEMBL29238398 0.68 MEN1 (0.51) MAPTSLC10A6MEN1KMT2AALDH1A1
SCHEMBL25228512 0.68 SLC10A6 (0.43) TDP1MAPTSLC10A6MEN1KMT2A

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-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 WO disclosed