SCHEMBL5684644

SCHEMBL5684644

Nc1ncc(CCNC(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HRH2 P25021 7/20 0.46
TSHR P16473 1/20 0.44
DRD2 P14416 3/20 0.42
HRH1 P35367 3/20 0.42
DRD3 P35462 3/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.39
F2 P00734 2/20 0.39
NOS1 P29475 1/20 0.38

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
SCHEMBL5653620 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HRH2TSHRDRD2HRH1
SCHEMBL4595629 0.82 GAA (0.51) SMN1; SMN2TSHRPOLBMAPTCYP1A2
SCHEMBL5835647 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HRH2TSHRDRD2HRH1
SCHEMBL2873838 0.77 HTT (0.46) SMN1; SMN2TSHRALDH1A1MAPTHTT
SCHEMBL13851673 0.76 HRH2 (0.52) SMN1; SMN2HRH2TSHRDRD2HRH1
SCHEMBL3255716 0.74 SMN1; SMN2 (0.60) SMN1; SMN2HRH2TSHRPOLBALDH1A1
SCHEMBL307251 0.74
SCHEMBL4594749 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HRH2TSHRDRD2HRH1
SCHEMBL5653356 0.73 CCNE1 (0.39) SMN1; SMN2TSHRALDH1A1
Bromide SCHEMBL5048845 0.73 SMN1; SMN2 (0.58) SMN1; SMN2HRH2TSHRPOLBALDH1A1

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-1640369-A1 THIAZOLIMINE COMPOUND AND OXAZOLIMINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-03-29 EP disclosed