SCHEMBL8167396

SCHEMBL8167396

COC(=O)[C@H](C(N)(N)C(=O)Cc1nnc(CCC[N+](=O)[O-])s1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 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
SCHEMBL8218081 0.79 GLS (0.34) GLS
SCHEMBL8167391 0.76 GLS (0.38) GLS
SCHEMBL8167394 0.76 GLS (0.38) GLS
SCHEMBL7457468 0.70 HTT (0.51) GLS
SCHEMBL7368805 0.67 MEN1 (0.37) GLS
SCHEMBL8218990 0.63 GLS (0.39) GLS
SCHEMBL5281607 0.61 KMT2A (0.47)
SCHEMBL6097619 0.57 CA12 (0.51)
SCHEMBL26047552 0.56 ATM (0.50)
SCHEMBL10419532 0.56 PDE4A (0.53)

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-6153628-A 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-28 US disclosed