SCHEMBL8041530

SCHEMBL8041530

C=CCSCC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SOAT1 P35610 2/20 0.48
SOAT2 O75908 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL9137326 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9135172 0.79 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL8041519 0.77 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9136269 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9008108 0.77 KMT2A (0.58) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9843936 0.77 SMN1; SMN2 (0.77) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9047310 0.77 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9050107 0.76 SOAT1 (0.54) SMN1; SMN2SOAT1
SCHEMBL9137847 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL9048730 0.76 SOAT1 (0.54) SMN1; SMN2SOAT1

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
JP-7316129-A None JP disclosed
EP-0874812-B1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PF MEDICAMENT (FR) 2000-04-05 EP disclosed
JP-H07316129-A PRODUCTION OF ALKYL THIOACETAMIDE TAISHO PHARMACEUT CO LTD 1995-12-05 JP disclosed