SCHEMBL4749294

SCHEMBL4749294

CCc1nc(NCc2ccc(OC)cc2)cc2c1C(=O)OCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.46
HRH4 Q9H3N8 2/20 0.42
HRH1 P35367 1/20 0.42
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
VCP P55072 1/20 0.39
PTGS2 P35354 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.38
FABP4 P15090 1/20 0.38
AR P10275 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4749409 0.82 JAK2 (0.42) PTGDRALDH1A1NPC1MAPTMEN1
SCHEMBL4068685 0.81 JAK2 (0.41) PTGDRHRH4HRH1ALDH1A1NPC1
SCHEMBL4064392 0.80 CD38 (0.44) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL4067001 0.77 JAK2 (0.41) PTGDRALDH1A1NPC1RAB9AMEN1
SCHEMBL4071782 0.76 HRH1 (0.49) PTGDRHRH4HRH1ALDH1A1VCP
SCHEMBL4467820 0.74 TDP1 (0.40) PTGDRNPC1RAB9A
SCHEMBL4749301 0.70 MAOA (0.34) DYRK1AGAA
SCHEMBL4808073 0.70 DYRK1A (0.39) DYRK1AGAA
SCHEMBL4788782 0.68 KDM4E (0.46) KMT2A
SCHEMBL4750253 0.67 BRD4 (0.46) PTGDRDYRK1AALDH1A1NPC1MAPT

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
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed