SCHEMBL11280841

SCHEMBL11280841

O=C(CCC(Br)Br)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
NR4A2 P43354 1/20 0.57
GSK3B P49841 2/20 0.54
PTPN1 P18031 1/20 0.54
MAPK1 P28482 3/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL2084869 0.84 L3MBTL1 (0.53) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL27381674 0.84 TDP1 (0.53) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL1502428 0.84 TDP1 (0.53) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL4745748 0.81 L3MBTL1 (0.50) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL719034 0.79 NR4A2 (0.85) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL30121738 0.79 NR4A2 (0.85) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL725762 0.79 TRPA1 (0.58) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL9720590 0.79 TDP1 (0.57) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL21396941 0.79 TDP1 (0.57) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL29165372 0.79 TDP1 (0.57) TDP1MAPTL3MBTL1LMNANR4A2

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
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed