SCHEMBL3469326

SCHEMBL3469326

O=C(c1ccco1)N1CCN(c2nccn3c(-c4ccc(CO)cc4)cnc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
SMO Q99835 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 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
SCHEMBL23008972 0.96 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3466582 0.91 KDM4E (0.48) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3465801 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3466147 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3466292 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMOMAPT
SCHEMBL3467187 0.87 KDM4E (0.48) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3469468 0.85 KDM4E (0.48) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3466882 0.84 KDM4E (0.48) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3466584 0.84 KDM4E (0.48) ALDH1A1KDM4EHSD17B10SMOKMT2A
SCHEMBL3467710 0.82 KDM4E (0.46) ALDH1A1KDM4EHSD17B10SMOKMT2A

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