SCHEMBL3406077

SCHEMBL3406077

O=C(NCC(O)CO)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 11/20 0.43
EGFR P00533 3/20 0.38
FGFR1 P11362 3/20 0.38
KDR P35968 3/20 0.38
WDR77 Q9BQA1 3/20 0.36
UBE2N P61088 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3405536 0.90 PRMT5 (0.41) PRMT5EGFRFGFR1KDRUBE2N
SCHEMBL3406384 0.89 PRMT5 (0.39) PRMT5EGFRFGFR1KDRUBE2N
SCHEMBL3408673 0.89 DRD2 (0.40) EGFRFGFR1KDRDRD2DRD3
Hydrochloric Acid SCHEMBL6527164 0.88 DRD2 (0.40) EGFRFGFR1KDRDRD2DRD3
SCHEMBL3427255 0.87 EGFR (0.39) EGFRFGFR1KDRALDH1A1
SCHEMBL979310 0.87 EGFR (0.39) EGFRFGFR1KDRDRD2DRD3
SCHEMBL3406619 0.86 EGFR (0.38) EGFRFGFR1KDRALDH1A1
SCHEMBL3401769 0.86 EGFR (0.41) EGFRFGFR1KDRKDM4EALDH1A1
SCHEMBL975803 0.86 EGFR (0.39) PRMT5EGFRFGFR1KDRDRD2
SCHEMBL3407500 0.85 EGFR (0.37) PRMT5EGFRFGFR1KDRDRD2

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