SCHEMBL3470397

SCHEMBL3470397

CC(=O)Nc1cccc(-c2cnc3c(N4CCN(C(=O)c5ccco5)CC4)nccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 5/20 0.44
GPR55 Q9Y2T6 1/20 0.42
SMO Q99835 1/20 0.42
FYN P06241 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN11 Q06124 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ABCB1 P08183 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13344409 0.94 KDM4E (0.43) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3470519 0.89 ALDH1A1 (0.43) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3466882 0.86 KDM4E (0.48) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3466582 0.85 KDM4E (0.48) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3466147 0.85 ALDH1A1 (0.55) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3467710 0.84 KDM4E (0.46) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3466292 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10MAPTGPR55
SCHEMBL23009014 0.82 ABCB1 (0.46) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3465801 0.82 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10MAPTSMO
SCHEMBL3467187 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10MAPTSMO

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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed