SCHEMBL4554904

SCHEMBL4554904

Cc1nn(C)c(-n2ncc3ccccc32)c1/C=C/C=O.[KH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
PHGDH O43175 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTT P42858 1/20 0.32
KMO O15229 1/20 0.32
PDE10A Q9Y233 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL963508 0.87 HTT (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL962886 0.83 ALDH1A1 (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL962885 0.83 ALDH1A1 (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL4554402 0.80 GLS (0.37) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL4553928 0.79 CA12 (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL962780 0.72 PPARG (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL962779 0.72 PPARG (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
Potassium Ion SCHEMBL962180 0.72 ASAH1 (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1PHGDH
SCHEMBL4554658 0.70 CYP1A2 (0.31) RAB9ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL4554436 0.69 MAPT (0.42) MAPT

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed