SCHEMBL1664064

SCHEMBL1664064

O=C(c1ccc(NC(=O)c2cccc3[nH]c[c]c23)cc1)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MT-CO2 P00403 3/20 0.38
SYK P43405 1/20 0.37
TSHR P16473 1/20 0.37
TNIK Q9UKE5 1/20 0.37

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
SCHEMBL13836571 0.95 NPC1 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1667309 0.86 RAB9A (0.41) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1664061 0.83 DHPS (0.50) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13836253 0.81 NPC1 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1664323 0.80 HRH3 (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1667308 0.79 GRM5 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL8770716 0.78 DHPS (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1664961 0.77 NPC1 (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8769706 0.76 RAB9A (0.58) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1664469 0.76 RAB9A (0.58) RAB9ANPC1ALDH1A1MEN1KMT2A

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