SCHEMBL1664558

SCHEMBL1664558

O=C(Nc1ccc(Oc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1ccc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
GFER P55789 1/20 0.63
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NAMPT P43490 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
NR4A1 P22736 1/20 0.43
MCL1 Q07820 1/20 0.43
ABL1 P00519 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 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
SCHEMBL1664562 0.94 RAB9A (0.63) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1664967 0.93 NPC1 (0.71) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1664970 0.90 NPC1 (0.67) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1664961 0.89 NPC1 (0.65) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1664965 0.84 RAB9A (0.68) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1665272 0.83 MAPT (0.61) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL1665013 0.82 NPC1 (0.55) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1667241 0.81 NPC1 (0.54) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1663562 0.79 NPC1 (0.55) RAB9ANPC1GFERKDM1ARCOR1
SCHEMBL1665017 0.79 NPC1 (0.55) RAB9ANPC1GFERKDM1ARCOR1

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