SCHEMBL1665073

SCHEMBL1665073

Cn1ccc(C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3F)c(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.44
SLC2A1 P11166 1/20 0.44
BACE1 P56817 4/20 0.43
CSF1R P07333 1/20 0.43
BACE2 Q9Y5Z0 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GPR6 P46095 1/20 0.42
POLB P06746 1/20 0.41
TNIK Q9UKE5 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL1665070 0.94 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL6120725 0.88 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL1663581 0.87 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL6126048 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL1664550 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL21254675 0.85 SLC2A1 (0.47) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL6126243 0.82 SLC2A1 (0.46) NPC1RAB9ASMN1; SMN2PKMSLC2A1
SCHEMBL1666963 0.82 BRD4 (0.45) NPC1RAB9ASMN1; SMN2KMT2ASLC2A1
SCHEMBL1664549 0.82 KDM4E (0.45) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL1664102 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2APKM

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