SCHEMBL1664306

SCHEMBL1664306

CN(CCO)c1ccc(Nc2ccc(-n3ncc4cc(NC(=O)c5cccs5)ccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.45
NPC1 O15118 10/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 2/20 0.40
MAPK8 P45983 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL12790164 0.93 MAOB (0.45) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL13974462 0.82 MAOB (0.49) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1663552 0.80 MEN1 (0.47) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1664078 0.80 MAPT (0.49) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL27918331 0.79 MAOB (0.47) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1664696 0.79 MCHR1 (0.52) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL18745969 0.79 MAOB (0.46) MAPTMAOBMAPK10MAPK8
SCHEMBL1666277 0.78 NPC1 (0.48) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL6125796 0.78 MAPT (0.50) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1666916 0.78 MAPT (0.52) RAB9ANPC1SMN1; SMN2POLBMAPT

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