SCHEMBL9296643

SCHEMBL9296643

Nc1ccc(-c2cc(CN(CC(=O)O)CC(=O)O)nc(-c3cccc(-c4cc(-c5ccc(N)cc5)cc(CN(CC(=O)O)CC(=O)O)n4)n3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.41
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
ALPL P05186 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
UCHL1 P09936 1/20 0.32
UCHL3 P15374 1/20 0.32
UCHL5 Q9Y5K5 1/20 0.32
HDAC1 Q13547 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
AOC3 Q16853 1/20 0.31
VCP P55072 1/20 0.31
GAA P10253 1/20 0.31
MEP1B Q16820 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
SCHEMBL13997750 0.95 LTB4R (0.41) LTB4RALDH1A1MAPTMEN1HPGD
SCHEMBL9594349 0.95 LTB4R (0.41) LTB4RALDH1A1MAPTMEN1HPGD
SCHEMBL8755137 0.90 LTB4R (0.39) LTB4RALDH1A1MAPTMEN1KMT2A
SCHEMBL8755720 0.89 MCL1 (0.37) LTB4RALDH1A1MAPTMEN1HPGD
SCHEMBL13997749 0.86 LTB4R (0.39) LTB4RALDH1A1MAPTMEN1KMT2A
SCHEMBL12293197 0.85 LTB4R (0.38) LTB4RALDH1A1MAPTMEN1HPGD
SCHEMBL9594479 0.84 MCL1 (0.37) LTB4RALDH1A1MAPTMEN1HPGD
SCHEMBL14513873 0.83 ALDH1A1 (0.39) LTB4RALDH1A1MAPTMEN1KMT2A
SCHEMBL1784625 0.83 LTB4R (0.35) LTB4RALDH1A1MAPTMEN1KMT2A
SCHEMBL29355287 0.82 LTB4R (0.34) LTB4RALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324825-A Terpyridine derivatives WALLAC OY (FI) 1994-06-28 US disclosed
US-5202423-A Terpyridine derivatives WALLAC OY 1993-04-13 US disclosed