SCHEMBL7624142

SCHEMBL7624142

NC(=O)CCc1n[c]c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.37
TBXAS1 P24557 2/20 0.33
MPO P05164 4/20 0.33
EGFR P00533 1/20 0.31
SRC P12931 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
SCHEMBL7625592 0.89 TBXAS1 (0.45) CAPN1TBXAS1MPO
SCHEMBL7616768 0.76 TBXAS1 (0.54) TBXAS1
SCHEMBL7621773 0.75 TBXAS1 (0.61) TBXAS1
SCHEMBL7614088 0.75 TBXAS1 (0.61) TBXAS1
SCHEMBL7616487 0.73 ALDH1A1 (0.41)
SCHEMBL2787115 0.72 TBXAS1 (0.57) CAPN1TBXAS1
SCHEMBL7618079 0.70 TBXAS1 (0.41) TBXAS1MPO
SCHEMBL7620248 0.70 HPGD (0.43) TBXAS1
SCHEMBL7613936 0.69 CYP3A4 (0.45) TBXAS1
SCHEMBL7626543 0.68 TBXAS1 (0.33) TBXAS1

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed