SCHEMBL322028

SCHEMBL322028

CCCn1c(=O)[nH]c2ccc(C(=O)c3nc(-c4cccc(C(=O)O)c4)c4ccccn34)cc2c1=O.COC(=O)c1cc(C(=O)c2nc(Br)c3ccccn23)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.34
RORC P51449 10/20 0.34
CFTR P13569 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 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
SCHEMBL321765 0.87 RORC (0.43) RORCALDH1A1KDM4EGAAHPGD
SCHEMBL321532 0.83 NPC1 (0.44) MAPK8RORCALDH1A1KDM4EGAA
SCHEMBL322579 0.81 NPC1 (0.41) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL322450 0.79 MAPT (0.39) RORCALDH1A1KDM4EGAAHPGD
SCHEMBL17074451 0.78 KDM4E (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL322513 0.78 RORC (0.44) RORCALDH1A1KDM4EGAAHPGD
SCHEMBL323215 0.78 HTR3A (0.39) RORCALDH1A1KDM4EGAAHPGD
SCHEMBL322566 0.77 RORC (0.43) MAPK8RORCCFTRALDH1A1KDM4E
SCHEMBL14916347 0.76 PARP1 (0.36) RORCALDH1A1KDM4EGAAHPGD
SCHEMBL323368 0.76 NPC1 (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10

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-2590976-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-15 EP disclosed
WO-2012004732-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-01-12 WO disclosed