SCHEMBL1663698

SCHEMBL1663698

Cc1c(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)cc2)cnn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 4/20 0.45
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
PDE7A Q13946 1/20 0.44
SYK P43405 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGDS O60760 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL1663699 0.96 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6126025 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6126044 0.89 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6126045 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6126026 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1663400 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1667499 0.81 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1667180 0.80 RAB9A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6052579 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1664186 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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