SCHEMBL8601347

SCHEMBL8601347

NCC(N)(C(=O)O)S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.33
ARG2 P78540 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
GGT1 P19440 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30
ODC1 P11926 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6007753 0.76 GGT1 (0.33) GGT1KDM4E
SCHEMBL7372440 0.73 ARG1 (0.33) ARG1GGT1KDM4E
Hydrochloric Acid SCHEMBL8555890 0.72 NOS2 (0.37) GGT1KDM4E
Hydrochloric Acid SCHEMBL8555892 0.72 NOS2 (0.37) GGT1KDM4E
SCHEMBL382142 0.69 SMN1; SMN2 (0.44) SMN1; SMN2HIF1A
SCHEMBL6007078 0.69 CA2 (0.37) SMN1; SMN2
SCHEMBL7651608 0.69 SMN1; SMN2 (0.44) SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL382912 0.68 SMN1; SMN2 (0.43) SMN1; SMN2HIF1A
SCHEMBL825611 0.64 SMN1; SMN2 (0.42) ARG1ARG2SMN1; SMN2HIF1AGGT1
SCHEMBL31603922 0.64

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed