SCHEMBL1666546

SCHEMBL1666546

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCCC(CO)C4)cc3)cc2)cc1)c1ccc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
GFER P55789 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
JAK2 O60674 1/20 0.45
SYK P43405 1/20 0.45
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL1666548 0.97 RAB9A (0.60) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL1664598 0.96 RAB9A (0.59) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL1664600 0.92 RAB9A (0.61) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL27868382 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1664458 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1664967 0.80 NPC1 (0.71) NPC1RAB9AGFERSMN1; SMN2MAPT
SCHEMBL1664453 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1664154 0.78 NPC1 (0.53) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL28797314 0.78 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1664970 0.78 NPC1 (0.67) NPC1RAB9AGFERSMN1; SMN2MAPT

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