SCHEMBL27901765

SCHEMBL27901765

CC(=O)CC(=O)ONC(N)=S

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TAS2R38 P59533 1/20 0.41
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8707689 0.85 TAS2R38 (0.36) MGAMGAASIMGAM2TAS2R38
SCHEMBL5961642 0.81 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28956119 0.81
SCHEMBL27781159 0.79
SCHEMBL7667200 0.78 TSHR (0.39) TAS2R38ALDH1A1HPGDLMNAKDM4E
SCHEMBL17439186 0.78 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28265511 0.77 TAS2R38 (0.36) MGAMGAASIMGAM2TAS2R38
SCHEMBL7894024 0.75
SCHEMBL28172315 0.74 TSHR (0.44) GAATAS2R38
SCHEMBL27232988 0.74

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
CN-102838535-A Preparation method of nicotinoyl thiourea derivatives UNIV ZHEJIANG TECHNOLOGY 2012-12-26 CN disclosed