SCHEMBL1664631

SCHEMBL1664631

Cn1ccc(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
JAK2 O60674 1/20 0.41
SYK P43405 2/20 0.40
ABL1 P00519 1/20 0.40
WEE1 P30291 1/20 0.40
HPGDS O60760 1/20 0.40
TNK2 Q07912 1/20 0.40
DCLK1 O15075 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1664275 0.97 MAPT (0.44) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL1664278 0.96 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL1664633 0.96 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL1662766 0.87 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL1663623 0.85 RAB9A (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL6125886 0.83 MCHR1 (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL6125887 0.83 MCHR1 (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8776655 0.81 MCHR1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6125888 0.81 MCHR1 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1663624 0.81 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGDS

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