SCHEMBL5799224

SCHEMBL5799224

COc1ccccc1-n1nc(-c2sc(N3CCC(N(C)C)C3)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK11 Q15759 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP4K1 Q92918 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
FGFR1 P11362 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
CACNB4 O00305 3/20 0.33
CACNA1A O00555 3/20 0.33
CACNA1G O43497 3/20 0.33

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
SCHEMBL5795722 0.92 MCHR1 (0.36) MAPK13CYP2C9MAPK11SMN1; SMN2KMT2A
SCHEMBL5795738 0.91 MAPK13 (0.46) MAPK13CYP2C9MAPK11SMN1; SMN2NPSR1
SCHEMBL5796380 0.90 MAPK11 (0.39) MAPK13CYP2C9MAPK11SMN1; SMN2TSHR
SCHEMBL5813023 0.89 CYP2C9 (0.37) MAPK13CYP2C9MAPK11SMN1; SMN2TSHR
SCHEMBL5817772 0.88 MAPK13 (0.40) MAPK13CYP2C9MAPK11SMN1; SMN2MAPT
SCHEMBL5798480 0.88 MAPK13 (0.40) MAPK13CYP2C9MAPK11SMN1; SMN2NPSR1
SCHEMBL5795724 0.84 MAPK13 (0.37) MAPK13CYP2C9MAPK11NPSR1MAPT
SCHEMBL5797394 0.83 MAPK8 (0.40) CYP2C9SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL5796356 0.79 MAPK13 (0.40) MAPK13CYP2C9MAPK11SMN1; SMN2MAP4K1
SCHEMBL5797429 0.79 MAPK8 (0.38) MAPK13CYP2C9MAPK11FGFR1FGFR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed