SCHEMBL5262603

SCHEMBL5262603

COc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2ccc(S(=O)(=O)NC3CCCCC3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14498820 0.89 KCNH2 (0.48) ATMKMT2AKCNH2
SCHEMBL14341457 0.87 KCNH2 (0.40) ATMKCNH2
SCHEMBL5264336 0.85 KCNH2 (0.52) KCNH2
SCHEMBL5261919 0.82 KCNH2 (0.45) KCNH2
SCHEMBL5263873 0.78 KCNH2 (0.52) KCNH2
SCHEMBL3251583 0.76 SLC2A1 (0.39)
SCHEMBL5259614 0.76 KCNH2 (0.46) KCNH2
SCHEMBL5263076 0.76 KCNH2 (0.46) KCNH2
SCHEMBL3252103 0.76 KCNH2 (0.38) ALDH1A1KCNH2
SCHEMBL3253063 0.76 ALDH1A1 (0.37) MEN1ALDH1A1HPGDKMT2AMAPT

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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed