SCHEMBL1663830

SCHEMBL1663830

Nc1ccc(-c2n[nH]c3ccc(OCc4ccccc4)cc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.64
NTRK1 P04629 2/20 0.60
MAOB P27338 3/20 0.54
MAPT P10636 2/20 0.54
MAOA P21397 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TRPM8 Q7Z2W7 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LTA4H P09960 2/20 0.49
PLA2G2A P14555 2/20 0.49
NSD2 O96028 1/20 0.49
AS3MT Q9HBK9 1/20 0.49
IKBKE Q14164 1/20 0.48
FGFR4 P22455 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MAPK8 P45983 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL5386440 0.91 TTK (0.72) TTKNTRK1MAOBMAPTMAOA
SCHEMBL627903 0.84 TTK (0.59) TTKNTRK1MAOBMAPTMAOA
SCHEMBL19149769 0.79 NTRK1 (0.53) TTKNTRK1IKBKEFGFR4MKNK1
SCHEMBL12282759 0.78 TTK (1.00) TTKMAPK8
SCHEMBL17982284 0.78 TTK (0.55) TTKNTRK1MAOBMAPTMAOA
SCHEMBL2574384 0.78 TTK (0.55) TTKNTRK1MAOBMAPTMAOA
SCHEMBL8877124 0.78 TTK (0.55) TTKNTRK1MAOBMAPTMAOA
SCHEMBL1336392 0.78 TTK (0.55) TTKNTRK1MAOBMAPTMAOA
SCHEMBL3918554 0.77 ITK (0.60) TTKNTRK1
SCHEMBL15064621 0.77 PRMT5 (0.55) TTKNTRK1IKBKEPRMT5

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