SCHEMBL3403104

SCHEMBL3403104

CC(C)[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
FGFR1 P11362 3/20 0.39
KDR P35968 3/20 0.39
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
CCR1 P32246 3/20 0.36
MAP3K5 Q99683 1/20 0.36
UTS2R Q9UKP6 5/20 0.35
ACKR3 P25106 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL3406619 0.92 EGFR (0.38) EGFRFGFR1KDRNPC1CTSD
SCHEMBL3401769 0.92 EGFR (0.41) EGFRFGFR1KDRNPC1KDM4E
SCHEMBL3427255 0.90 EGFR (0.39) EGFRFGFR1KDRNPC1MAP3K5
SCHEMBL976524 0.88 EGFR (0.40) EGFRFGFR1KDRNPC1CTSD
SCHEMBL976523 0.88 EGFR (0.40) EGFRFGFR1KDRNPC1CTSD
SCHEMBL977764 0.87 CCR2 (0.40) EGFRFGFR1KDRNPC1CTSD
SCHEMBL976516 0.87 EGFR (0.40) EGFRFGFR1KDRNPC1CTSD
SCHEMBL976498 0.87 EGFR (0.38) EGFRFGFR1KDRBACE1CCR1
SCHEMBL976385 0.87 EGFR (0.40) EGFRFGFR1KDRNPC1CTSD
SCHEMBL977767 0.86 EGFR (0.39) EGFRFGFR1KDRNPC1RAB9A

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