SCHEMBL1664446

SCHEMBL1664446

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 5/20 0.50
CHRNA7 P36544 2/20 0.50
HTR3A P46098 1/20 0.47
TNIK Q9UKE5 1/20 0.47
LMNA P02545 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
USP2 O75604 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL1664449 0.99 ESR1 (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1664909 0.95 ESR1 (0.58) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1664045 0.94 KMT2A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1665855 0.93 MAOA (0.53) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1665857 0.92 MAOA (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1664046 0.90 MAPT (0.50) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1664810 0.88 TNIK (0.43) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1665046 0.88 TNIK (0.44) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL8770838 0.85 ESR1 (0.55) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL8769706 0.85 RAB9A (0.58) RAB9ANPC1KMT2AMAPTMEN1

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