SCHEMBL4244108

SCHEMBL4244108

COc1ccc(-c2cc(-c3cccc(N(C)[N+](C)(C(=O)O)C(=O)O)n3)nc(-c3cccc(N(C)[N+](C)(C(=O)O)C(=O)O)n3)c2)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
APP P05067 2/20 0.33
ABCB1 P08183 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
ABCC1 P33527 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 1/20 0.32
NOS1 P29475 1/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK8 P45983 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
SCHEMBL663383 0.81 ALDH1A1 (0.34) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL663382 0.81 SLC6A9 (0.36) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL905936 0.79 ALDH1A1 (0.34) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8597557 0.77 ADORA3 (0.32) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8547909 0.76 KDR (0.37) ALDH1A1LMNAHTTL3MBTL1APP
SCHEMBL7717266 0.74 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL30803820 0.74 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8936038 0.73 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8935948 0.73 ADORA2A (0.36) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8597197 0.72 ADORA3 (0.32) ALDH1A1LMNAHTTL3MBTL1ADORA3

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
EP-2068905-A2 ALBUMIN FUSION PROTEINS Human Genome Sciences, Inc. (US) 2009-06-17 EP disclosed
WO-2008033413-A2 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. (US) 2008-03-20 WO disclosed