SCHEMBL2709189

SCHEMBL2709189

O=C(O)c1cccc(-c2cnn(-c3cccc(O)c3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
MLLT3 P42568 1/20 0.51
MLLT1 Q03111 1/20 0.51
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA6 P23280 1/20 0.49
CA9 Q16790 1/20 0.49
EGLN1 Q9GZT9 2/20 0.48
KMO O15229 2/20 0.47
CHEK1 O14757 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL185372 0.95 MEN1 (0.70) MEN1NPC1RAB9AKMT2AMLLT3
SCHEMBL181956 0.86 MEN1 (0.73) MEN1NPC1RAB9AKMT2AHPGDS
SCHEMBL182130 0.85 NPC1 (0.55) MEN1NPC1RAB9AKMT2AHPGDS
SCHEMBL182206 0.85 NPC1 (0.65) MEN1NPC1RAB9AKMT2AMLLT3
SCHEMBL18289064 0.84 GAA (0.54) MEN1NPC1RAB9AKMT2AMLLT3
SCHEMBL181944 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2AEGLN1
SCHEMBL14403364 0.84 MEN1 (0.66) MEN1NPC1RAB9AKMT2AHPGDS
SCHEMBL7510493 0.83 ALKBH2 (0.71) MEN1NPC1RAB9AKMT2AMLLT3
SCHEMBL16872782 0.83 GAA (0.53) MEN1NPC1RAB9AKMT2AMLLT3
SCHEMBL182242 0.83 KMT2A (0.69) MEN1NPC1RAB9AKMT2AHPGDS

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-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 EP disclosed