SCHEMBL8776074

SCHEMBL8776074

Cn1ccc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(I)cc4)cc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.48
TRPV1 Q8NER1 3/20 0.48
ROCK1 Q13464 1/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL29348767 0.91 NPC1 (0.58) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL15798268 0.81 NPC1 (0.56) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL15143091 0.80 NPC1 (0.43) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL1668213 0.80 MAPT (0.62) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL1664550 0.79 RAB9A (0.48) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL29348766 0.78 NPC1 (0.62) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL1779536 0.76 RAB9A (0.66) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL8770348 0.75 NPC1 (0.51) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL3674376 0.75 TRPV1 (0.76) NPC1RAB9APKMPOLBSMN1; SMN2
SCHEMBL8770378 0.75 KCNK3 (0.58) NPC1RAB9APKMSMN1; SMN2KMT2A

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-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed