SCHEMBL1663122

SCHEMBL1663122

Cn1cccc1C(=O)Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCOC(CO)C4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.43
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ABL1 P00519 2/20 0.40
SYK P43405 2/20 0.39
LMNA P02545 2/20 0.39
CD63 P08962 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 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
SCHEMBL8776405 0.95 MAPT (0.45) HPGDSMAPTATMNPC1TP53
SCHEMBL1663126 0.95 MAPT (0.45) HPGDSMAPTATMNPC1TP53
SCHEMBL1664154 0.82 NPC1 (0.53) MAPTATMNPC1TP53PKM
SCHEMBL27937047 0.81 PKM (0.44) MAPTATMNPC1TP53PKM
SCHEMBL1664160 0.81 HPGDS (0.55) HPGDS
SCHEMBL1663663 0.81 HPGDS (0.55) HPGDS
SCHEMBL27884809 0.81 HDAC8 (0.47) MAPTATMNPC1TP53PKM
SCHEMBL1664351 0.79 HPGDS (0.62) HPGDSMAPTNPC1RAB9ALMNA
SCHEMBL8770543 0.78 RAB9A (0.45) HPGDSMAPTNPC1TP53PKM
SCHEMBL1664300 0.78 MAPT (0.44) HPGDSMAPTNPC1RAB9ALMNA

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