SCHEMBL7335306

SCHEMBL7335306

Cc1nc(=O)c(C#N)c(C=S)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.32
ATM Q13315 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
UPP1 Q16831 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7289243 0.70 GAA (0.56) GAAKDM4EATMPDE4APDE4B
SCHEMBL7335311 0.69 GAA (0.46) GAAKDM4EATMPDE4APDE4B
SCHEMBL7282267 0.67 GAA (0.41) GAAKDM4EATMPDE4APDE4B
SCHEMBL7288660 0.66 PDE4A (0.38) GAAKDM4EATMPDE4APDE4B
SCHEMBL21048253 0.61 GAA (0.41) GAAKDM4EATMALDH1A1
SCHEMBL10466353 0.60 GAA (1.00) GAAKDM4EATMPDE4APDE4B
SCHEMBL27389569 0.59 GAA (0.54) GAAKDM4EATMPDE4APDE4B
SCHEMBL3797196 0.55 KDM4E (0.68) GAAKDM4EATMUPP1ALDH1A1
SCHEMBL172129 0.55 ALDH1A1 (0.37) GAAKDM4EALDH1A1
SCHEMBL29958173 0.54 KDM4E (0.37) GAAKDM4EATMUPP1RECQL

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
US-5002949-A Anticoagulants AMERICAN HOME PRODUCTS CORPORATION (US) 1991-03-26 US disclosed