SCHEMBL3427255

SCHEMBL3427255

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
FGFR1 P11362 3/20 0.39
KDR P35968 3/20 0.39
UTS2R Q9UKP6 7/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP3K5 Q99683 1/20 0.34
S1PR2 O95136 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 2/20 0.34
ACKR3 P25106 1/20 0.34
CNR1 P21554 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
SCHEMBL3401769 0.92 EGFR (0.41) EGFRFGFR1KDRUTS2RLMNA
SCHEMBL3406619 0.90 EGFR (0.38) EGFRFGFR1KDRUTS2RLMNA
SCHEMBL976498 0.90 EGFR (0.38) EGFRFGFR1KDRUTS2RLMNA
SCHEMBL3403104 0.90 EGFR (0.39) EGFRFGFR1KDRUTS2RNPC1
SCHEMBL976524 0.88 EGFR (0.40) EGFRFGFR1KDRUTS2RLMNA
SCHEMBL976523 0.88 EGFR (0.40) EGFRFGFR1KDRUTS2RLMNA
SCHEMBL3408673 0.87 DRD2 (0.40) EGFRFGFR1KDRLMNATP53
SCHEMBL3406077 0.87 PRMT5 (0.43) EGFRFGFR1KDRALDH1A1
SCHEMBL977764 0.87 CCR2 (0.40) EGFRFGFR1KDRUTS2RF10
SCHEMBL976516 0.87 EGFR (0.40) EGFRFGFR1KDRUTS2RF10

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