SCHEMBL8933377

SCHEMBL8933377

CC(=C1SCN(N(C)C)C1=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL8933375 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL8991924 0.83 MEN1 (0.40) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL8895686 0.83 MEN1 (0.40) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL2746044 0.74 PTGS2 (0.52) PTGS1PTGS2ALOX5GAAALDH1A1
SCHEMBL2746042 0.74 PTGS2 (0.52) PTGS1PTGS2ALOX5GAAALDH1A1
SCHEMBL8992157 0.73 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL8992154 0.73 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL8910093 0.72 LMNA (0.37) SMN1; SMN2NPSR1LMNARECQLPTGS1
SCHEMBL9029562 0.72 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAPTGS1PTGS2
SCHEMBL8933379 0.72 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed