SCHEMBL4760876

SCHEMBL4760876

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NCC(CO)C(=O)O)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.51
MAPK11 Q15759 3/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK12 P53778 2/20 0.38
MAPK14 Q16539 2/20 0.38
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
MAPT P10636 3/20 0.33
CTSA P10619 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MME P08473 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
FABP4 P15090 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL4246031 0.91 MAPK13 (0.49) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4246294 0.87 MAPK11 (0.55) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5812295 0.85 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4243655 0.85 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245941 0.85 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5811657 0.85 MAPK11 (0.54) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4242028 0.84 MAPK13 (0.48) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245986 0.84 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4245202 0.82 MAPK13 (0.53) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL4239796 0.82 MAPK11 (0.46) MAPK13MAPK11CYP2C9MAPK12MAPK14

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-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed