SCHEMBL5798754

SCHEMBL5798754

Cc1cc(C(=O)Cc2ccc(=O)n(-c3ccccc3C)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
MAPK11 Q15759 6/20 0.38
MAPK14 Q16539 6/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 3/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 2/20 0.36
SRC P12931 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL4240705 0.87 LMNA (0.47) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL4239808 0.81 MAPK11 (0.46) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL5795810 0.76 MAPK11 (0.37) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL5798494 0.72 MAPK11 (0.35) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL5799397 0.70 PIM1 (0.45) PIM1MAPK14ALDH1A1LMNASRC
SCHEMBL5797417 0.69 PIM1 (0.46) PIM1L3MBTL1SRCKDM4EPOLB
SCHEMBL14972980 0.65 MEN1 (0.61) PIM1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL4243698 0.65 ALDH1A1 (0.39) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL6282334 0.65 PIM1 (0.50) PIM1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5798859 0.65 FGFR1 (0.47) MAPK11MAPK14MAPK13MAPK12ALDH1A1

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