SCHEMBL3466147

SCHEMBL3466147

O=C(c1ccco1)N1CCN(c2nccn3c(-c4ccccc4)cnc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.55
SMO Q99835 1/20 0.55
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 6/20 0.53
MAPT P10636 6/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
USP2 O75604 3/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 6/20 0.50
NPSR1 Q6W5P4 5/20 0.50
TSHR P16473 4/20 0.50
HSP90AA1 P07900 1/20 0.48
ABCB1 P08183 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL3465801 0.92 ALDH1A1 (0.51) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3466292 0.91 ALDH1A1 (0.56) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3469326 0.91 ALDH1A1 (0.49) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3466882 0.90 KDM4E (0.48) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3467187 0.89 KDM4E (0.48) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3466582 0.89 KDM4E (0.48) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3466584 0.88 KDM4E (0.48) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3467710 0.87 KDM4E (0.46) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL23008972 0.87 ALDH1A1 (0.49) ALDH1A1SMOHSD17B10KDM4EMAPT
SCHEMBL3470397 0.85 HTT (0.48) ALDH1A1SMOHSD17B10KDM4EMAPT

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