SCHEMBL1666904

SCHEMBL1666904

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1cc[nH]c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGDS O60760 1/20 0.45
KDM1A O60341 2/20 0.45

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
SCHEMBL1666906 0.98 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664358 0.95 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664360 0.91 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1665401 0.89 EGFR (0.44) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1664879 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664099 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL8769706 0.87 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1664932 0.86 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1664139 0.86 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL1665398 0.86 EGFR (0.44) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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