SCHEMBL1900308

SCHEMBL1900308

O=C(O)c1ccc(-c2cnn(-c3ccc4c(c3)OC(I)O4)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
MAPKAPK2 P49137 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGDS O60760 1/20 0.41
ALKBH2 Q6NS38 1/20 0.41
HSD11B1 P28845 1/20 0.39
MELK Q14680 1/20 0.37
RIPK2 O43353 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL182186 0.81 STIM1 (0.52) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182209 0.81 ALDH1A1 (0.51) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL2712427 0.76 MAP4K4 (0.46) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL6134377 0.76 ALKBH2 (0.66) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182112 0.75 MAP4K4 (0.56) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182549 0.75 MAP4K4 (0.50) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182369 0.74 HPGDS (0.63) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182343 0.74 ALDH1A1 (0.51) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182124 0.73 MAP4K4 (0.57) MAP4K4MAPKAPK2MEN1NPC1RAB9A
SCHEMBL182033 0.73 MAP4K4 (0.77) MAP4K4MAPKAPK2MEN1NPC1RAB9A

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-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed