SCHEMBL1664099

SCHEMBL1664099

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2F)c(F)c1)c1cc[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
TNIK Q9UKE5 1/20 0.39
PDE7A Q13946 3/20 0.39
EGFR P00533 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC2A1 P11166 1/20 0.38
HDAC3 O15379 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
SCHEMBL1664879 0.97 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664102 0.95 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1663777 0.94 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664881 0.94 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1666904 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6120725 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1666906 0.86 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1665401 0.86 EGFR (0.44) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1664969 0.84 KMT2A (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664358 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53

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