SCHEMBL4779121

SCHEMBL4779121

COc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(-c2ncco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
SLC40A1 Q9NP59 3/20 0.44
GLO1 Q04760 2/20 0.44
PGAM1 P18669 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
CCR9 P51686 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
PGR P06401 2/20 0.39
USP9X Q93008 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
AXL P30530 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3C2G O75747 1/20 0.38

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
SCHEMBL18315257 0.87 KEAP1 (0.50) KEAP1NFE2L2SLC40A1GLO1KMT2A
SCHEMBL30304671 0.87 KEAP1 (0.50) KEAP1NFE2L2SLC40A1GLO1KMT2A
SCHEMBL4780017 0.86 KAT6A (0.39) SLC40A1PGAM1KMT2AMEN1GAA
SCHEMBL3098055 0.86 AXL (0.52) KEAP1NFE2L2SLC40A1GLO1PGAM1
SCHEMBL31478916 0.83 AXL (0.53) KEAP1NFE2L2SLC40A1GLO1KMT2A
SCHEMBL3097960 0.83 AXL (0.53) KEAP1NFE2L2SLC40A1GLO1KMT2A
SCHEMBL4780415 0.83 MEN1 (0.57) KEAP1NFE2L2KMT2AMEN1TDP1
SCHEMBL4777554 0.82 PKM (0.46) KEAP1NFE2L2KMT2AMEN1GAA
SCHEMBL3095654 0.81 STAT3 (0.51) KEAP1NFE2L2GLO1KMT2AMEN1
SCHEMBL4777374 0.80 GLO1 (0.43) GLO1KMT2AMEN1TDP1POLB

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