SCHEMBL4728739

SCHEMBL4728739

Oc1ccc(-c2cn3ccccc3n2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 1.00
GFER P55789 5/20 1.00
KMT2A Q03164 3/20 1.00
GAA P10253 2/20 1.00
MEN1 O00255 2/20 1.00
MIF P14174 1/20 1.00
CLK1 P49759 1/20 0.69
DYRK1A Q13627 1/20 0.69
NPC1 O15118 10/20 0.68
KDM4E B2RXH2 8/20 0.68
POLB P06746 4/20 0.63
PKM P14618 5/20 0.62
CASP6 P55212 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL8340215 0.87 RAB9A (0.76) RAB9AGFERKMT2AGAAMEN1
SCHEMBL10242020 0.87 RAB9A (0.76) RAB9AGFERKMT2AGAAMEN1
SCHEMBL12848509 0.83 RAB9A (0.76) RAB9AGFERKMT2AGAAMEN1
SCHEMBL13325909 0.83 RAB9A (0.83) RAB9AGFERKMT2AGAAMEN1
Bromide SCHEMBL6525392 0.82 RAB9A (0.79) RAB9AGFERKMT2AGAAMEN1
SCHEMBL3304334 0.82 RAB9A (0.97) RAB9AGFERKMT2AGAAMEN1
SCHEMBL13325938 0.81 RAB9A (0.80) RAB9AGFERKMT2AGAAMEN1
SCHEMBL13131131 0.81 RAB9A (0.69) RAB9AGFERKMT2AGAAMEN1
SCHEMBL13325743 0.81 RAB9A (0.68) RAB9AGFERKMT2AGAAMEN1
SCHEMBL29614084 0.81 RAB9A (0.68) RAB9AGFERKMT2AGAAMEN1

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed