SCHEMBL1663789

SCHEMBL1663789

O=C(c1ccc(NC(=O)c2ccn[nH]2)cc1)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
ALOX15 P16050 4/20 0.51
TP53 P04637 4/20 0.51
PKM P14618 3/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
CDK2 P24941 1/20 0.46
GFER P55789 1/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
NAMPT P43490 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1663792 0.96 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664961 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664469 0.83 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL8769706 0.83 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664758 0.82 MAPT (0.46) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1665918 0.81 MAPT (0.65) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664970 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664531 0.80 MAPT (0.49) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL1664752 0.80 MAPT (0.47) NPC1RAB9ASMN1; SMN2ALOX15TP53
SCHEMBL1664358 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALOX15TP53

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