SCHEMBL6464045

SCHEMBL6464045

COc1cccc(CNC(=O)c2cc3c(=O)n(CCc4ccccc4)c(=O)n(C)c3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
RET P07949 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT1 P17948 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53

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
SCHEMBL6474162 0.92 MAPT (0.56) MAPTGAATP53RXFP1PLK4
SCHEMBL6255118 0.91 MAPT (0.54) MAPTGAATP53RXFP1PLK4
SCHEMBL6255260 0.91 MAPT (0.52) MAPTGAATP53RXFP1PLK4
SCHEMBL6256222 0.90 MAPT (0.53) MAPTGAATP53RXFP1PLK4
SCHEMBL6258764 0.90 MAPT (0.56) MAPTGAATP53RXFP1PLK4
SCHEMBL6254774 0.90 MAPT (0.53) MAPTGAATP53RXFP1PLK4
SCHEMBL6257318 0.89 MAPT (0.52) MAPTGAATP53RXFP1PLK4
SCHEMBL6473407 0.89 MAPT (0.52) MAPTGAATP53RXFP1PLK4
SCHEMBL6476444 0.89 MAPT (0.58) MAPTGAATP53RXFP1PLK4
SCHEMBL6733519 0.86 MAPT (0.53) MAPTGAATP53RXFP1PLK4

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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed