SCHEMBL6231289

SCHEMBL6231289

O=[N+]([O-])c1cccc(NCCCCCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
DDX3X O00571 1/20 0.53
HTT P42858 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALOX12 P18054 2/20 0.48
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL6226767 1.00 MAPT (0.53) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL11115027 0.94 ALDH1A1 (0.57) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL3214047 0.88 KMT2A (0.58) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL30067720 0.88 KMT2A (0.58) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL3476083 0.85 ALDH1A1 (0.51) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL5605034 0.85 ALDH1A1 (0.51) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL4611265 0.84 ALDH1A1 (0.52) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL11291923 0.84 MEN1 (0.50) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL11164763 0.83 ALDH1A1 (0.56) MAPTMEN1POLBKMT2ADDX3X
SCHEMBL11158043 0.82 ALDH1A1 (0.60) MAPTMEN1POLBKMT2ADDX3X

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-1496046-A1 New coupling components Henkel Kommanditgesellschaft auf Aktien (DE) 2005-01-12 EP disclosed