SCHEMBL4728069

SCHEMBL4728069

CC(C)(C)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.67
RAB9A P51151 12/20 0.67
SMN1; SMN2 Q16637 8/20 0.63
MAPT P10636 4/20 0.63
TP53 P04637 2/20 0.63
TSHR P16473 1/20 0.63
KDM4E B2RXH2 12/20 0.63
ALDH1A1 P00352 8/20 0.63
HPGD P15428 6/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 2/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 3/20 0.61
PKM P14618 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADRB2 P07550 1/20 0.60
CYP1A2 P05177 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57

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
SCHEMBL1662102 0.88 KDM4E (0.63) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1494782 0.86 KDM4E (0.75) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1494939 0.82 ALDH1A1 (0.77) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL4727605 0.82 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL19322176 0.81 KDM4E (0.82) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4725484 0.81 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL12799208 0.78 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPTTP53
Trifluoroacetic Acid SCHEMBL14719213 0.78 PTGS1 (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1494571 0.78 KDM4E (0.77) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL30366944 0.78 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTTP53

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