SCHEMBL6687938

SCHEMBL6687938

COc1cc(OC)c(C=C2C(=O)Nc3ccc(I)cc32)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.71
MAPT P10636 4/20 0.71
MAPK1 P28482 3/20 0.71
CSNK1A1 P48729 2/20 0.71
CSNK1E P49674 2/20 0.71
GMNN O75496 2/20 0.71
LMNA P02545 2/20 0.71
TP53 P04637 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
HPGD P15428 2/20 0.71
CYP2C19 P33261 2/20 0.71
BLM P54132 2/20 0.71
PMP22 Q01453 2/20 0.71
HIF1A Q16665 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 1/20 0.71
THPO P40225 1/20 0.71

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
SCHEMBL5363455 0.89 MAPT (0.58) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
SCHEMBL5358059 0.85 MDM2 (0.75) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
SCHEMBL5368858 0.85 MAPT (0.62) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
SCHEMBL5358330 0.83 MAPT (0.52) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
Ic261 SCHEMBL2786157 0.83 CSNK1D (1.00) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
Ic261 SCHEMBL29467414 0.83 CSNK1D (1.00) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
Ic261 SCHEMBL3697594 0.83 CSNK1D (1.00) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
Ic261 SCHEMBL905701 0.83 CSNK1D (1.00) CSNK1DMAPTMAPK1CSNK1A1CSNK1E
SCHEMBL5368424 0.83 MDM2 (0.61) CSNK1DMAPTMAPK1GMNNLMNA
SCHEMBL5358413 0.82 RET (0.73) MAPTMAPK1GMNNLMNATP53

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-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed