SCHEMBL8167394

SCHEMBL8167394

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 17/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8167391 1.00 GLS (0.38) GLSKMT2AALDH1A1PKMHTT
SCHEMBL8218990 0.88 GLS (0.39) GLSKMT2A
SCHEMBL8218077 0.78 GLS (0.33) GLSKMT2A
SCHEMBL8167396 0.76 GLS (0.38) GLS
SCHEMBL7457468 0.69 HTT (0.51) GLSKMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL8215964 0.68 GLS (0.33) GLS
SCHEMBL7368805 0.67 MEN1 (0.37) GLSKMT2A
SCHEMBL27853854 0.59 KCNN4 (0.46) KMT2AALDH1A1PKMHTT
SCHEMBL15042315 0.57 GLS (1.00) GLS
SCHEMBL14223636 0.56 KCNN4 (0.48) ALDH1A1PKMHTT

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