SCHEMBL9000178

SCHEMBL9000178

CCOP(=O)(OCC)[S+]([O-])Cn1cncn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9000191 0.67 FDPS (0.43) FDPSEGLN3ALDH1A1MAPTSMN1; SMN2
SCHEMBL9000197 0.66 FDPS (0.36) FDPSEGLN3ALDH1A1MAPTSMN1; SMN2
SCHEMBL10884315 0.65 FDPS (0.48) FDPSEGLN3ALDH1A1
SCHEMBL9000139 0.65 FDPS (0.41) FDPSEGLN3
SCHEMBL10884318 0.65 TSHR (0.43) ALDH1A1MAPTSMN1; SMN2
SCHEMBL10883268 0.64 FDPS (0.50) FDPSEGLN3ALDH1A1
SCHEMBL10886429 0.64 FDPS (0.34) FDPS
SCHEMBL10885921 0.64 FDPS (0.40) FDPS
SCHEMBL6248588 0.62
SCHEMBL45842 0.58

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730408-A1 TRIAZOLE PHOSPHONATE PESTICIDES AgrEvo UK Limited (GB) 1996-09-11 EP disclosed
WO-1995014385-A1 TRIAZOLE PHOSPHONATE PESTICIDES AGREVO UK LIMITED (GB) 1995-06-01 WO disclosed