SCHEMBL12705192

SCHEMBL12705192

COc1cc2c(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCC(C)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 16/20 0.65
EGFR P00533 5/20 0.64
MET P08581 5/20 0.64
SRC P12931 3/20 0.64
KIT P10721 2/20 0.52
TBKBP1 A7MCY6 1/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
RIPK2 O43353 1/20 0.51
PRKAB2 O43741 1/20 0.51
ERN1 O75460 1/20 0.51
STK10 O94804 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
FER P16591 1/20 0.51
MARK3 P27448 1/20 0.51
ECHS1 P30084 1/20 0.51
MAP2K2 P36507 1/20 0.51

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
SCHEMBL13667291 0.95 AXL (0.61) AXLEGFRMETSRCTBKBP1
SCHEMBL13667270 0.92 AXL (0.64) AXLEGFRMETSRCKIT
SCHEMBL13667534 0.90 AXL (0.66) AXLEGFRMETSRC
SCHEMBL1546671 0.89 AXL (0.81) AXLEGFRMETSRCTBKBP1
SCHEMBL13667531 0.87 AXL (0.60) AXLEGFRMETSRCTBKBP1
SCHEMBL1591271 0.84 AXL (0.76) AXLEGFRMETSRCTBKBP1
SCHEMBL13667271 0.84 AXL (0.66) AXLEGFRMETSRCTBKBP1
SCHEMBL1546627 0.83 AXL (0.75) AXLEGFRMETSRCTBKBP1
SCHEMBL1547357 0.83 AXL (0.82) AXLEGFRMETSRCTBKBP1
SCHEMBL1546618 0.82 AXL (0.77) AXLEGFRMETSRCTBKBP1

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
WO-2011045084-A1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-04-21 WO disclosed
EP-2311809-A1 Quinolinyloxyphenylsulfonamides Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-04-20 EP disclosed