SCHEMBL7057264

SCHEMBL7057264

COC(=O)c1sc(-c2ccccc2)cc1NC(N)=O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.80
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 2/20 0.80
LMNA P02545 1/20 0.80
HPGD P15428 2/20 0.76
IKBKB O14920 7/20 0.74
HTT P42858 1/20 0.70
ATM Q13315 1/20 0.70
TP53 P04637 2/20 0.66
POLB P06746 1/20 0.66
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL1406017 0.90 POLB (0.71) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5368759 0.89 MAPT (1.00) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7059470 0.88 IKBKB (0.69) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7054758 0.88 KDM4E (0.70) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1563671 0.88 NPSR1 (0.70) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2157496 0.87 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7057270 0.86 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7052667 0.85 IKBKB (0.78) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL3070348 0.85 IKBKB (0.82) MAPTIKBKBPOLB
SCHEMBL1382301 0.85 IKBKB (1.00) MAPTKDM4EALDH1A1LMNAIKBKB

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-2003028731-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed