SCHEMBL1664045

SCHEMBL1664045

O=C(Nc1ccc(Oc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
MCL1 Q07820 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
CHRNA7 P36544 2/20 0.45
TNIK Q9UKE5 1/20 0.45
ESR1 P03372 4/20 0.45
ALDH1A1 P00352 2/20 0.44
NR4A1 P22736 1/20 0.44
LMNA P02545 1/20 0.44
HTR3A P46098 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1664046 0.96 MAPT (0.50) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1664446 0.94 RAB9A (0.51) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1664449 0.93 ESR1 (0.52) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL8770838 0.92 ESR1 (0.55) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1664909 0.89 ESR1 (0.58) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1665855 0.87 MAOA (0.53) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1665857 0.86 MAOA (0.52) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1665272 0.83 MAPT (0.61) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1664810 0.82 TNIK (0.43) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL1665046 0.82 TNIK (0.44) KMT2ARAB9AMAPTNPC1MEN1

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