SCHEMBL5798494

SCHEMBL5798494

Cc1cc(C2(Cc3ccc(=O)n(-c4ccccc4C)n3)OCCO2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 5/20 0.35
MAPK14 Q16539 5/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 2/20 0.35
OPRM1 P35372 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSK3B P49841 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
SCHEMBL4249675 0.89 MAPK11 (0.40) MAPK11MAPK14MAPK13MAPK12OPRM1
SCHEMBL4247801 0.83 MAPK11 (0.42) MAPK11MAPK14MAPK13MAPK12OPRM1
SCHEMBL5808373 0.73 POLB (0.34) POLBCASP6GSK3BBACE1
SCHEMBL5798754 0.72 PIM1 (0.40) MAPK11MAPK14MAPK13MAPK12FGFR1
SCHEMBL4239808 0.65 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12LMNA
SCHEMBL4240705 0.63 LMNA (0.47) MAPK11MAPK14MAPK13MAPK12LMNA
SCHEMBL19507134 0.63 SMN1; SMN2 (0.44) TSHRLMNAMAPK1POLBCASP6
SCHEMBL5795810 0.62 MAPK11 (0.37) MAPK11MAPK14MAPK13MAPK12FGFR1
SCHEMBL5797396 0.61 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL18770748 0.60 MAPK14 (0.41) MAPK11MAPK14MAPK13MAPK12OPRM1

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