SCHEMBL28771122

SCHEMBL28771122

CCNc1c(-c2ccc(=O)n(-c3ccccc3CN)n2)c(-c2ccc(F)cc2)nn1CCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK11 Q15759 1/20 0.41
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA1 P30542 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
SCHEMBL27714968 0.95 MAPK13 (0.42) MAPK13CYP2C9MAPK11HDAC1MEN1
SCHEMBL4236904 0.89 MAPK13 (0.52) MAPK13CYP2C9MAPK11HDAC6HDAC1
SCHEMBL4243533 0.84 MAPK13 (0.53) MAPK13CYP2C9MAPK11MEN1KMT2A
SCHEMBL5807489 0.74 MAPK13 (0.53) MAPK13CYP2C9MAPK11HDAC6MEN1
SCHEMBL4246034 0.73 MAPK13 (0.48) MAPK13CYP2C9MAPK11MEN1KMT2A
SCHEMBL27819208 0.72 MAPK13 (0.46) MAPK13CYP2C9MAPK11ADORA1
SCHEMBL5811657 0.67 MAPK11 (0.54) MAPK13CYP2C9MAPK11HDAC6MEN1
SCHEMBL4240237 0.67 MAPK11 (0.58) MAPK13CYP2C9MAPK11HDAC6ADORA1
SCHEMBL5808420 0.67 MAPK11 (0.54) MAPK13CYP2C9MAPK11ADORA1
SCHEMBL5812295 0.67 MAPK13 (0.53) MAPK13CYP2C9MAPK11MEN1KMT2A

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