SCHEMBL1665070

SCHEMBL1665070

Cn1ccc(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3F)c(F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
PKM P14618 1/20 0.45
BACE1 P56817 5/20 0.44
BACE2 Q9Y5Z0 3/20 0.43
PDE7A Q13946 4/20 0.43
GPR6 P46095 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 1/20 0.40
CSF1R P07333 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.39
HPGDS O60760 1/20 0.38

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
SCHEMBL1665073 0.94 NPC1 (0.46) NPC1RAB9APKMBACE1BACE2
SCHEMBL6126046 0.85 GPR6 (0.45) NPC1RAB9APKMBACE1BACE2
SCHEMBL1663581 0.84 RAB9A (0.48) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL1664549 0.83 KDM4E (0.45) NPC1RAB9APKMPDE7ASMN1; SMN2
SCHEMBL6126242 0.82 NPC1 (0.45) NPC1RAB9APKMPDE7ASMN1; SMN2
SCHEMBL6126449 0.81 NPC1 (0.47) NPC1RAB9APDE7ASMN1; SMN2TP53
SCHEMBL6126048 0.81 NPC1 (0.43) NPC1RAB9APKMBACE1BACE2
SCHEMBL1666960 0.81 ALDH1A1 (0.46) NPC1RAB9APDE7ASMN1; SMN2CSF1R
SCHEMBL6120725 0.80 RAB9A (0.51) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL1664802 0.80 HPGDS (0.55) NPC1RAB9APDE7ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed