SCHEMBL15086408

SCHEMBL15086408

CCCN1CCN(c2ccc3cc(-c4cn5cc(Cl)cnc5n4)c(=O)oc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD4 P21917 2/20 0.38
DRD3 P35462 4/20 0.37
DRD2 P14416 4/20 0.37
DRD1 P21728 2/20 0.35
ALK Q9UM73 1/20 0.35
APP P05067 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL15068838 0.91 SUV39H2 (0.40) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15069024 0.87 NPC1 (0.41) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15068931 0.86 NPC1 (0.44) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15067262 0.85 ALDH1A1 (0.59) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15069067 0.81 NPC1 (0.40) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15068949 0.81 NPC1 (0.40) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15069261 0.81 NPC1 (0.48) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15068562 0.81 NPC1 (0.41) KDM4EGAANPC1ALDH1A1MAPT
SCHEMBL15067382 0.80 NPC1 (0.48) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL15066423 0.80 NPC1 (0.44) KDM4EGAANPC1ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed