SCHEMBL3401787

SCHEMBL3401787

CC(O)CNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
TP53 P04637 3/20 0.38
DDR1 Q08345 1/20 0.35
GRIA2 P42262 1/20 0.35
P2RX7 Q99572 2/20 0.34
GPR139 Q6DWJ6 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 3/20 0.34
IDO1 P14902 1/20 0.34
RIPK1 Q13546 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
LMNA P02545 1/20 0.33
TBXA2R P21731 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRMT5 O14744 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
SCHEMBL3406126 0.92 F2 (0.38) F2TP53DDR1GRIA2P2RX7
SCHEMBL3406663 0.91 DDR1 (0.38) F2TP53DDR1P2RX7RIPK1
SCHEMBL3661828 0.91 F2 (0.37) F2TP53DDR1GRIA2P2RX7
SCHEMBL3656663 0.90 F2 (0.37) F2TP53DDR1GRIA2P2RX7
SCHEMBL1990364 0.89 F2 (0.38) F2TP53DDR1P2RX7KMT2A
SCHEMBL976717 0.88 F2 (0.39) F2TP53DDR1GPR139MEN1
SCHEMBL3405538 0.88 CTSD (0.39) F2TP53P2RX7MEN1RAB9A
SCHEMBL1551297 0.87 CYP19A1 (0.38) F2TP53DDR1P2RX7IDO1
SCHEMBL3655106 0.87 F2 (0.38) F2TP53DDR1KMT2ARIPK1
SCHEMBL3401743 0.86 BACE1 (0.37) F2BACE1BACE2

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