SCHEMBL1664879

SCHEMBL1664879

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1)c1cc[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
SLC2A1 P11166 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GAA P10253 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 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
SCHEMBL1664099 0.97 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1664881 0.97 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1663777 0.97 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1664102 0.94 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1666904 0.89 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1665401 0.89 EGFR (0.44) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL1666906 0.87 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1664969 0.87 KMT2A (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1664628 0.86 SLC2A1 (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1664139 0.86 ALDH1A1 (0.44) NPC1RAB9AMAPTSMN1; SMN2EGFR

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