SCHEMBL5288032

SCHEMBL5288032

CC1(C)Cc2cc(Nc3ccc(F)cc3F)ccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.56
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL5293741 0.88 MAPK14 (0.58) MAPK14
SCHEMBL5281273 0.88 MAPK14 (0.60) MAPK14
SCHEMBL5300161 0.83 ALDH3A1 (0.46) MAPK14ALDH1A1
SCHEMBL20951663 0.80 CA1 (0.43) ALDH1A1
SCHEMBL5288385 0.77 MAPK14 (0.57) MAPK14
SCHEMBL5280548 0.74 MAPK14 (0.56) MAPK14
SCHEMBL5286949 0.74 MAPK14 (0.41) MAPK14
SCHEMBL5284500 0.74 MAPK14 (0.65) MAPK14
SCHEMBL3051914 0.73 MAPK14 (0.39) MAPK14
SCHEMBL5296159 0.72 MAPK14 (0.45) MAPK14

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
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed