SCHEMBL14823554

SCHEMBL14823554

CC[N+]1=C(C)C(C)(C)c2c1cc(S(=O)(=O)O)c1cc(S(=O)(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
FOLH1 Q04609 1/20 0.35
CASP6 P55212 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.31
NT5E P21589 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL16195355 0.93 MEN1 (0.39) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL14823545 0.86 FOLH1 (0.43) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL14347674 0.85 MEN1 (0.42) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL1370729 0.84 MAPT (0.43) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL6802279 0.80 FOLH1 (0.42) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL14823559 0.80 CASP6 (0.34) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL14883322 0.80 MEN1 (0.42) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL17988752 0.80 MEN1 (0.45) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL17988751 0.80 TTR (0.42) TDP1MEN1MAPTKMT2ALMNA
SCHEMBL1367336 0.78 LMNA (0.61) TDP1MEN1MAPTKMT2ALMNA

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-2013041117-A1 DYES FOR LABELLING MOLECULAR LIGANDS ILLUMINA CAMBRIGDE LTD. (GB) 2013-03-28 WO disclosed