SCHEMBL8992157

SCHEMBL8992157

CC(=C1SC(=S)N(N(C)C)C1=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 2/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 3/20 0.35
ALOX5 P09917 1/20 0.35
BCL2 P10415 1/20 0.34
BCL2L2 Q92843 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
SCHEMBL8992154 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1RECQLLMNAPTGS2
SCHEMBL8534268 0.75 PTGS2 (0.55) PTGS2ALDH1A1GAAMEN1KMT2A
SCHEMBL8534273 0.75 PTGS2 (0.55) PTGS2ALDH1A1GAAMEN1KMT2A
SCHEMBL8910093 0.73 LMNA (0.37) SMN1; SMN2NPSR1RECQLLMNAPTGS2
SCHEMBL8933375 0.73 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1RECQLLMNAPTGS2
SCHEMBL8933377 0.73 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1RECQLLMNAPTGS2
SCHEMBL8992161 0.72 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAPTGS2ALDH1A1
SCHEMBL9028884 0.72 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAPTGS2ALDH1A1
SCHEMBL8962158 0.71 PTGS2 (0.56) SMN1; SMN2NPSR1RECQLLMNAPTGS2
SCHEMBL8962160 0.71 PTGS2 (0.56) SMN1; SMN2NPSR1RECQLLMNAPTGS2

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-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed