SCHEMBL27655396

SCHEMBL27655396

NC(=O)CC(C(O)=S)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TBXAS1 P24557 3/20 0.43
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 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
SCHEMBL28030353 0.86 LMNA (0.45) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL17591689 0.82 LMNA (0.54) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL27956700 0.78 L3MBTL1 (0.49) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL15591082 0.78 LMNA (0.46) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL7995329 0.76 LMNA (0.45) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL7378506 0.76 LMNA (0.45) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL2370434 0.76 L3MBTL1 (0.51) LMNASMN1; SMN2TBXAS1F7F3
SCHEMBL12883291 0.76 L3MBTL1 (0.51) LMNASMN1; SMN2TBXAS1F7F3
SCHEMBL4775271 0.74 SMN1; SMN2 (0.49) LMNAGRM8GRM4SMN1; SMN2TBXAS1
SCHEMBL4779810 0.74 SMN1; SMN2 (0.49) LMNAGRM8GRM4SMN1; SMN2TBXAS1

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
CN-1761673-A guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-19 CN claimed
CN-100355758-C Guanidine derivatives and use thereof as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 CN disclosed
CN-1761673-A guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-19 CN disclosed