Sugi Predict

Sugi Predict / Compounds / SCHEMBL5281489

SCHEMBL5281489

SCHEMBL5281489

Nc1ccccc1Nc1ccc2c(c1)CCCC2=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.67
▸ MAPK13 O15264 1/20 0.67
▸ MAPK12 P53778 1/20 0.67
▸ MAPK11 Q15759 1/20 0.67
▸ BAZ2B Q9UIF8 1/20 0.51

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
SCHEMBL4219689 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3475441 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5286182 0.79 MAPK1 (0.51) MAPK14MAPK13MAPK12MAPK11BAZ2B
SCHEMBL5289299 0.76 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2318278 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5284500 0.74 MAPK14 (0.65) MAPK14
SCHEMBL23657096 0.73 MAPK14 (0.69) MAPK14BAZ2B
SCHEMBL8310779 0.72 BAZ2B (0.67) MAPK14BAZ2B
SCHEMBL5291340 0.72 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL23058498 0.72 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11

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