SCHEMBL1663640

SCHEMBL1663640

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.76
MAPT P10636 8/20 0.76
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
GAA P10253 2/20 0.76
ALDH1A1 P00352 4/20 0.71
TP53 P04637 3/20 0.71
GFER P55789 1/20 0.71
MAPK1 P28482 1/20 0.61
HTT P42858 3/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
LMNA P02545 2/20 0.51
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL1663642 0.98 SMN1; SMN2 (0.72) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1663679 0.85 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL8769706 0.84 RAB9A (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1664750 0.81 MAPT (0.49) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL8775385 0.80 NPC1 (0.64) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL18745976 0.79 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL21254928 0.79 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1664311 0.79 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1664752 0.79 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1663536 0.78 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA

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