SCHEMBL1664941

SCHEMBL1664941

O=C(c1ccc(NC(=O)c2ccc[nH]2)cc1)c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
GFER P55789 1/20 0.67
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MAPT P10636 8/20 0.58
TP53 P04637 2/20 0.58
MAPK1 P28482 2/20 0.58
ATM Q13315 1/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.55
ROCK1 Q13464 2/20 0.53
KDM1A O60341 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
KDM1B Q8NB78 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL1664944 0.95 NPC1 (0.70) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL1664961 0.88 NPC1 (0.65) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL1664680 0.87 RAB9A (0.61) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL1664154 0.84 NPC1 (0.53) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL1664970 0.84 NPC1 (0.67) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL8770431 0.84 HDAC8 (0.81) NPC1RAB9AHDAC8HDAC6MAPT
SCHEMBL1663783 0.84 HDAC8 (0.81) NPC1RAB9AHDAC8HDAC6MAPT
SCHEMBL1664965 0.83 RAB9A (0.68) NPC1RAB9AGFERHDAC8HDAC6
SCHEMBL1664967 0.82 NPC1 (0.71) NPC1RAB9AGFERMAPTTP53
SCHEMBL6421388 0.81 ALDH1A1 (0.56) NPC1RAB9AGFERHDAC8HDAC6

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