SCHEMBL27463151

SCHEMBL27463151

CC(C)(C)c1cc(C=C2C(=O)Nc3ncccc32)c(O)c(C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.72
RAF1 P04049 2/20 0.49
NTRK1 P04629 2/20 0.49
MAPT P10636 3/20 0.47
APP P05067 2/20 0.47
SNCA P37840 2/20 0.47
ERBB2 P04626 2/20 0.47
EGFR P00533 1/20 0.47
IGF1R P08069 1/20 0.47
FLT3 P36888 1/20 0.43
ALOX5 P09917 4/20 0.41
PTGS2 P35354 4/20 0.41
TNKS2 Q9H2K2 1/20 0.39
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8324249 0.84 CTRC (1.00) CTRCRAF1NTRK1MAPTAPP
SCHEMBL8318625 0.72 CTRC (0.53) CTRCRAF1NTRK1MAPTAPP
SCHEMBL5369391 0.72 EGFR (0.41) CTRCRAF1MAPTERBB2EGFR
SCHEMBL5364237 0.71 ERBB2 (0.47) CTRCRAF1MAPTERBB2EGFR
SCHEMBL5368044 0.71 SRC (0.50) NTRK1ERBB2EGFRIGF1RCDK2
SCHEMBL12694955 0.71 CTRC (0.69) CTRCRAF1NTRK1MAPTAPP
SCHEMBL12537627 0.71 CTRC (0.69) CTRCRAF1NTRK1MAPTAPP
SCHEMBL12537625 0.71 CTRC (0.69) CTRCRAF1NTRK1MAPTAPP
SCHEMBL8325317 0.70 MAPT (0.70) CTRCRAF1NTRK1MAPTAPP
SCHEMBL8319403 0.70 CTRC (0.52) CTRCRAF1NTRK1MAPTAPP

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-1139929-A Substituted 3-arylene-7-azaoxindole compounds and methods for their preparation PHARMACIA SPA (IT) 1997-01-08 CN disclosed