SCHEMBL3470519

SCHEMBL3470519

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 3/20 0.43
GPR55 Q9Y2T6 1/20 0.41
SMO Q99835 1/20 0.41
KIT P10721 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL3470397 0.89 HTT (0.48) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL13344409 0.87 KDM4E (0.43) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3466882 0.85 KDM4E (0.48) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3466582 0.84 KDM4E (0.48) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3466147 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3467710 0.83 KDM4E (0.46) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3466292 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHSD17B10GPR55
SCHEMBL3465801 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHSD17B10SMO
SCHEMBL3467187 0.79 KDM4E (0.48) ALDH1A1MAPTKDM4EHSD17B10SMO
SCHEMBL23009014 0.79 ABCB1 (0.46) ALDH1A1MAPTKDM4EHSD17B10GPR55

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