SCHEMBL1664481

SCHEMBL1664481

Cn1nccc1C(=O)Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.41
TBK1 Q9UHD2 3/20 0.40
JAK2 O60674 2/20 0.40
PDE7A Q13946 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGDS O60760 1/20 0.39
MAPK10 P53779 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
SCHEMBL1664484 0.94 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10NPC1RAB9ACYP1A2
SCHEMBL1665170 0.87 NPC1 (0.45) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1664686 0.85 HPGDS (0.54) SMN1; SMN2HSD17B10TBK1JAK2PDE7A
SCHEMBL1664923 0.84 NPC1 (0.46) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1664625 0.84 RAB9A (0.48) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1664007 0.83 RAB9A (0.51) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL6126242 0.83 NPC1 (0.45) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1664294 0.82 NPC1 (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1664163 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10NPC1RAB9APKM
SCHEMBL1665596 0.81 MAPT (0.54) SMN1; SMN2HSD17B10NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed