SCHEMBL3465801

SCHEMBL3465801

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 3/20 0.51
GRIA1 P42261 2/20 0.47
SMO Q99835 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3466147 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3466292 0.91 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3469326 0.91 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3466882 0.90 KDM4E (0.48) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3467187 0.89 KDM4E (0.48) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL23008972 0.87 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3466584 0.86 KDM4E (0.48) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3466582 0.85 KDM4E (0.48) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3467710 0.84 KDM4E (0.46) ALDH1A1HSD17B10KDM4ESMONPC1
SCHEMBL3469191 0.83 HTT (0.56) ALDH1A1HSD17B10KDM4ESMONPC1

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