SCHEMBL3404002

SCHEMBL3404002

O=C(NC1(CO)CCCC1)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.44
EGFR P00533 3/20 0.37
FGFR1 P11362 3/20 0.37
KDR P35968 3/20 0.37
ANO1 Q5XXA6 2/20 0.35
DGAT2 Q96PD7 2/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
CNR1 P21554 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CCKBR P32239 1/20 0.32

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 0.97 ACKR3 (0.40) ACKR3EGFRFGFR1KDRANO1
SCHEMBL3407613 0.90 EGFR (0.37) ACKR3EGFRFGFR1KDRANO1
SCHEMBL3407500 0.85 EGFR (0.37) ACKR3EGFRFGFR1KDRLMNA
Hydrochloric Acid SCHEMBL6527164 0.84 DRD2 (0.40) EGFRFGFR1KDRLMNATP53
SCHEMBL3408673 0.84 DRD2 (0.40) EGFRFGFR1KDRLMNATP53
SCHEMBL3427255 0.84 EGFR (0.39) ACKR3EGFRFGFR1KDRLMNA
SCHEMBL977461 0.83 MEN1 (0.44) EGFRFGFR1KDRLMNATP53
SCHEMBL3401769 0.83 EGFR (0.41) ACKR3EGFRFGFR1KDRLMNA
SCHEMBL979310 0.82 EGFR (0.39) EGFRFGFR1KDRLMNATP53
SCHEMBL3406077 0.81 PRMT5 (0.43) EGFRFGFR1KDRALDH1A1

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