SCHEMBL5801699

SCHEMBL5801699

NC(=O)CCc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
GFER P55789 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
PRMT1 Q99873 1/20 0.54
FFAR1 O14842 5/20 0.53
HTT P42858 1/20 0.51
FFAR4 Q5NUL3 2/20 0.50
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HDAC1 Q13547 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
KEAP1 Q14145 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL28671968 0.91 MAPT (0.53) MAPTGAAGFERSIRT2FFAR1
SCHEMBL9425104 0.85 FFAR1 (0.69) MAPTFFAR1HTTFFAR4KEAP1
SCHEMBL5813249 0.85 SIRT1 (0.60) MAPTGAAGFERSIRT2PRMT1
SCHEMBL5020712 0.83 FFAR1 (0.69) MAPTPRMT1FFAR1HTTALDH1A1
SCHEMBL2593 0.82 KEAP1 (0.67) MAPTPRMT1FFAR1HTTCASP3
SCHEMBL27463865 0.81 MAPT (0.58) MAPTGAAGFERSIRT2HTT
Hydrochloric Acid SCHEMBL6952080 0.81 KEAP1 (0.64) MAPTPRMT1FFAR1HTTALDH1A1
Hydrochloric Acid SCHEMBL3308277 0.81 KEAP1 (0.64) MAPTPRMT1FFAR1HTTALDH1A1
Ammonia Solution, Strong SCHEMBL10416110 0.81 KEAP1 (0.64) MAPTPRMT1FFAR1HTTALDH1A1
Hydrazine SCHEMBL28262207 0.81 KEAP1 (0.64) MAPTPRMT1FFAR1HTTALDH1A1

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
WO-2006094800-A2 CASCADE REACTION PROCESS SYNTHON B.V. (NL) 2006-09-14 WO disclosed