SCHEMBL11526178

SCHEMBL11526178

CN(C)C(=O)Cc1n[nH]c(S)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR4A2 P43354 1/20 0.31

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
SCHEMBL11533740 0.98 GAA (0.32) GAARXFP1NR4A2
SCHEMBL11532222 0.83 KDM4E (0.35) GAA
SCHEMBL11530167 0.80 POLB (0.40)
SCHEMBL689848 0.67 MAPT (0.42) GAA
SCHEMBL2117961 0.64 GAA (0.40) GAANR4A2
SCHEMBL2115894 0.64 GAA (0.36) GAANR4A2
SCHEMBL1483401 0.63 KDM4E (0.41) NR4A2
SCHEMBL8935193 0.62
SCHEMBL10396477 0.62 TSHR (0.33) GAA
SCHEMBL25680862 0.60 GABRA1 (0.36) GAANR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4142046-A BACTERICIDES, 7-AMINO-CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1979-02-27 US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 US disclosed