SCHEMBL3408094

SCHEMBL3408094

CS(=O)(=O)N(c1cc(F)cc(C(=O)NCC2(C(O)I)CC2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
RIPK1 Q13546 1/20 0.33
DDR1 Q08345 2/20 0.33
TP53 P04637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SLC6A9 P48067 1/20 0.30
CACNA1H O95180 1/20 0.30
BACE1 P56817 1/20 0.30
GPR139 Q6DWJ6 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
SCHEMBL6521493 0.88 F2 (0.37) F2RIPK1DDR1TP53HRH3
SCHEMBL3409864 0.86 F2 (0.38) F2DDR1TP53HRH3SLC6A9
SCHEMBL3401787 0.86 F2 (0.39) F2RIPK1DDR1TP53HRH3
SCHEMBL3406663 0.85 DDR1 (0.38) F2RIPK1DDR1TP53
SCHEMBL3406126 0.84 F2 (0.38) F2RIPK1DDR1TP53HRH3
SCHEMBL976717 0.84 F2 (0.39) F2RIPK1DDR1TP53HRH3
SCHEMBL3661828 0.83 F2 (0.37) F2RIPK1DDR1TP53HRH3
SCHEMBL6525306 0.83 F2 (0.35) F2DDR1TP53HRH3SLC6A9
SCHEMBL3655106 0.83 F2 (0.38) F2RIPK1DDR1TP53HRH3
SCHEMBL3662481 0.82 F2 (0.37) F2RIPK1DDR1TP53GPR139

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-2254862-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed