SCHEMBL2056423

SCHEMBL2056423

O=C(NC(c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCCCN1)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.51
PSMB11 A5LHX3 4/20 0.41
PSMA7 O14818 4/20 0.41
PSMB1 P20618 4/20 0.41
PSMA1 P25786 4/20 0.41
PSMA2 P25787 4/20 0.41
PSMA3 P25788 4/20 0.41
PSMA4 P25789 4/20 0.41
PSMB8 P28062 4/20 0.41
PSMB9 P28065 4/20 0.41
PSMA5 P28066 4/20 0.41
PSMB4 P28070 4/20 0.41
PSMB6 P28072 4/20 0.41
PSMB5 P28074 4/20 0.41
PSMB10 P40306 4/20 0.41
PSMB3 P49720 4/20 0.41
PSMB2 P49721 4/20 0.41
PSMA6 P60900 4/20 0.41
PSMA8 Q8TAA3 4/20 0.41
PSMB7 Q99436 4/20 0.41

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
SCHEMBL2056427 1.00 SLC6A9 (0.51) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL10234212 0.97 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL10232955 0.97 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL10234061 0.97 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL2056433 0.93 SLC6A9 (0.51) SLC6A9MAPK1CCR2MEN1GAA
SCHEMBL2056425 0.91 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL2056445 0.91 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL2056444 0.91 SLC6A9 (0.48) SLC6A9PSMB11PSMA7PSMB1PSMA1
SCHEMBL2056369 0.84 SLC6A9 (0.75) SLC6A9
SCHEMBL2056402 0.84 SLC6A9 (0.75) SLC6A9

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-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed