SCHEMBL3467710

SCHEMBL3467710

NC(=O)c1cccc(-c2cnc3c(N4CCN(C(=O)c5ccco5)CC4)nccn23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 10/20 0.46
HSD17B10 Q99714 2/20 0.46
SMO Q99835 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3466882 0.89 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3466582 0.88 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3466147 0.87 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3470397 0.84 HTT (0.48) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3466512 0.84 RAD52 (0.51)
SCHEMBL3465801 0.84 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3466292 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3470519 0.83 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL13344409 0.83 KDM4E (0.43) KDM4EALDH1A1HSD17B10SMOMAPT
SCHEMBL3469326 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10SMOMAPT

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