SCHEMBL1493370

SCHEMBL1493370

C=CCCn1ccnc1.CCOP(=S)(S)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TBXAS1 P24557 3/20 0.40
LMNA P02545 1/20 0.38
QPCT Q16769 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33

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
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL1493659 0.88 ALDH1A1 (0.39) ALDH1A1KDM4ETBXAS1LMNAQPCT
SCHEMBL1493399 0.84 TBXAS1 (0.49) ALDH1A1KDM4ETBXAS1LMNAQPCT
SCHEMBL574077 0.80
SCHEMBL28320158 0.78 TBXAS1 (0.54) ALDH1A1TBXAS1EGLN3
Bromide SCHEMBL27752371 0.78 TBXAS1 (0.54) ALDH1A1TBXAS1EGLN3
Iodide SCHEMBL28622555 0.78 TBXAS1 (0.54) ALDH1A1TBXAS1EGLN3
Hydrochloric Acid SCHEMBL15436959 0.78 TBXAS1 (0.54) ALDH1A1TBXAS1EGLN3
Acetic Acid SCHEMBL457850 0.73 EGLN3 (0.54) ALDH1A1TBXAS1EGLN3
Formic Acid SCHEMBL2521494 0.72 EGLN3 (0.49) ALDH1A1TBXAS1EGLN3
SCHEMBL10650074 0.70 TBXAS1 (0.63) ALDH1A1TBXAS1

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-2289899-B1 New ionic liquids based on dithiophosphate anions and preparations thereof IFP ENERGIES NOW (FR) 2017-03-22 EP disclosed
EP-2289899-A1 New ionic liquids based on dithiophosphate anions and preparations thereof IFP Energies nouvelles (FR) 2011-03-02 EP disclosed