SCHEMBL4781851

SCHEMBL4781851

COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ccco2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
GHSR Q92847 1/20 0.44
SLC20A2 Q08357 1/20 0.44
SLC20A1 Q8WUM9 1/20 0.44
CLK1 P49759 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL3083591 0.87 SLC20A2 (0.54) AXLMEN1KMT2AGAALMNA
SCHEMBL3101140 0.87 SLC20A2 (0.52) AXLMEN1KMT2AGAALMNA
SCHEMBL4777395 0.83 AXL (0.54) AXLMEN1KMT2AGAALMNA
SCHEMBL30304653 0.82 MEN1 (0.57) MEN1KMT2AGAALMNANPSR1
SCHEMBL4779095 0.82 MEN1 (0.57) MEN1KMT2AGAALMNANPSR1
SCHEMBL4725832 0.81 LMNA (0.47) MEN1KMT2AGAALMNANPSR1
SCHEMBL4780290 0.81 MEN1 (0.50) MEN1KMT2AGAALMNANPSR1
SCHEMBL4781931 0.81 GAA (0.50) MEN1KMT2AGAALMNANPSR1
SCHEMBL4781581 0.79 AXL (0.49) AXLMEN1KMT2AGAAALOX15
SCHEMBL4780564 0.78 AXL (0.47) AXLMEN1KMT2AGAAALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed