SCHEMBL27714968

SCHEMBL27714968

CCNc1c(-c2ccc(=O)n(-c3ccccc3CN)n2)c(-c2ccc(F)cc2)nn1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.42
MAPK11 Q15759 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK14 Q16539 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL28771122 0.95 MAPK13 (0.41) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4243533 0.89 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4236904 0.84 MAPK13 (0.52) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL4246034 0.78 MAPK13 (0.48) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL27819208 0.73 MAPK13 (0.46) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5807489 0.71 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL5808420 0.68 MAPK11 (0.54) MAPK13MAPK11CYP2C9ALDH1A1MAPK12
SCHEMBL5812295 0.68 MAPK13 (0.53) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL5813188 0.67 MAPK11 (0.42) MAPK13MAPK11CYP2C9MEN1KMT2A
SCHEMBL27735800 0.66 TSHR (0.43) MAPK13MAPK11CYP2C9MEN1KMT2A

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
CN-101268079-B Pyridazinone derivatives for the treatment of pain ASTELLAS PHARMA INC 2011-09-14 CN disclosed
CN-101268079-A Pyridazinone derivatives for the treatment of pain ASTELLAS PHARMA INC (JP) 2008-09-17 CN disclosed