SCHEMBL8977706

SCHEMBL8977706

CO/C=C(/C(=O)O)c1ccccc1CS/C(=N/c1cccnc1)SC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SGMS2 Q8NHU3 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
EPHX1 P07099 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
SCHEMBL8977711 1.00 NOS3 (0.36) NOS3NOS1NOS2SGMS2HTR3E
SCHEMBL8977709 1.00 NOS3 (0.36) NOS3NOS1NOS2SGMS2HTR3E
SCHEMBL9333332 0.90 IDO1 (0.32) NOS3NOS1NOS2ALDH1A1HPGD
SCHEMBL9333334 0.90 IDO1 (0.32) NOS3NOS1NOS2ALDH1A1HPGD
SCHEMBL9333339 0.90 IDO1 (0.32) NOS3NOS1NOS2ALDH1A1HPGD
SCHEMBL8977652 0.84 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL8977645 0.84 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL8977684 0.83 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL8977680 0.83 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL8977688 0.83 ALDH1A1 (0.35) NOS3NOS1NOS2ALDH1A1GAA

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
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed
EP-0378308-A1 Acrylate fungicides AgrEvo UK Limited (GB) 1990-07-18 EP disclosed