SCHEMBL29397706

SCHEMBL29397706

NC(=O)Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 15/20 0.70
KCNJ5 P48544 15/20 0.70
KCNJ3 P48549 15/20 0.70
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
BRAF P15056 1/20 0.49
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
CDK8 P49336 1/20 0.44

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
SCHEMBL25286218 0.90 KCNJ6 (0.72) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL25793175 0.88 KCNJ6 (0.70) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL1780824 0.84 KCNJ6 (0.65) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL3180026 0.82 KCNJ6 (0.51) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL1012856 0.78 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL19258547 0.77 KCNJ6 (0.63) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL1012446 0.77 KCNJ6 (0.52) KCNJ6KCNJ5KCNJ3BRAFALDH1A1
SCHEMBL31391128 0.73 KCNJ6 (0.64) KCNJ6KCNJ5KCNJ3MAPK13MAPK12
SCHEMBL13975495 0.72 NTRK1 (0.78) KCNJ6KCNJ5KCNJ3ALDH1A1HTT
SCHEMBL5164195 0.72 CDK8 (0.80) MAPK13MAPK12MAPK11MAPK14CDK8

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
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed