SCHEMBL8894217

SCHEMBL8894217

CC(=S)CN(C)C(=S)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8164721 0.86 GAA (0.49) TAS2R38SMN1; SMN2MAPTHTTCYP1A2
SCHEMBL622887 0.81 MAPT (0.54) TAS2R38SMN1; SMN2MAPTHTTCYP1A2
SCHEMBL17596668 0.79 MAPT (0.55) TAS2R38SMN1; SMN2MAPTHTTCYP1A2
SCHEMBL23618280 0.77 ALDH1A1 (0.61) TAS2R38SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL5448016 0.77 ALDH1A1 (0.61) TAS2R38SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL7743067 0.76 LMNA (0.47) TAS2R38SMN1; SMN2MAPTHTTCYP1A2
SCHEMBL10470753 0.75 KMT2A (0.49) MAPTKDM4ELMNAALDH1A1
SCHEMBL10670402 0.73 MEN1 (0.67) TAS2R38SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL5450589 0.72 SMN1; SMN2 (0.71) SMN1; SMN2MAPTHTTHPGDLMNA
SCHEMBL10394940 0.72 LMNA (0.66) TAS2R38SMN1; SMN2MAPTHTTCYP1A2

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-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed