SCHEMBL3469468

SCHEMBL3469468

O=C(c1ccco1)N1CCN(c2nccn3c(-c4ccccc4CO)cnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 14/20 0.47
HSD17B10 Q99714 2/20 0.47
SMO Q99835 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPT P10636 5/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 3/20 0.44
ABCC1 P33527 1/20 0.44
STAT1 P42224 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL23009158 0.96 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3469326 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3466147 0.85 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3466582 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL23008972 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3465801 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3466292 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3469191 0.80 HTT (0.56) KDM4EALDH1A1HSD17B10SMOHPGD
SCHEMBL3466882 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMOLMNA
SCHEMBL3466584 0.79 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMOHPGD

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