SCHEMBL3407613

SCHEMBL3407613

O=C(NC1(CCO)CC1)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.37
FGFR1 P11362 5/20 0.37
KDR P35968 5/20 0.37
ACKR3 P25106 2/20 0.34
KIF18A Q8NI77 1/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ANO1 Q5XXA6 3/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
MAP3K5 Q99683 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
IDO1 P14902 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 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
SCHEMBL3405554 0.93 ACKR3 (0.40) EGFRFGFR1KDRACKR3LMNA
SCHEMBL3404002 0.90 ACKR3 (0.44) EGFRFGFR1KDRACKR3KIF18A
SCHEMBL3408673 0.85 DRD2 (0.40) EGFRFGFR1KDRLMNANPSR1
Hydrochloric Acid SCHEMBL6527164 0.84 DRD2 (0.40) EGFRFGFR1KDRLMNANPSR1
SCHEMBL3427255 0.84 EGFR (0.39) EGFRFGFR1KDRACKR3LMNA
SCHEMBL3407500 0.83 EGFR (0.37) EGFRFGFR1KDRACKR3LMNA
SCHEMBL977461 0.83 MEN1 (0.44) EGFRFGFR1KDRLMNANPSR1
SCHEMBL3401769 0.83 EGFR (0.41) EGFRFGFR1KDRACKR3LMNA
SCHEMBL979310 0.82 EGFR (0.39) EGFRFGFR1KDRLMNANPSR1
SCHEMBL3406077 0.81 PRMT5 (0.43) EGFRFGFR1KDRALDH1A1HPGD

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 4 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 claimed
WO-2009118473-A2 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-10-01 WO claimed
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