SCHEMBL4782048

SCHEMBL4782048

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.54
SCN9A Q15858 1/20 0.48
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
SLC40A1 Q9NP59 2/20 0.46
GLO1 Q04760 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR9 P51686 2/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
CCR4 P51679 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL4778484 0.86 KMT2A (0.48) SCN9AKDM1AALDH1A1PKMKMT2A
SCHEMBL4779284 0.85 AXL (0.51) PGRSCN9ASLC40A1GLO1GAA
SCHEMBL4781817 0.84 SLC40A1 (0.48) PGRSCN9ASLC40A1CCR4
SCHEMBL3098833 0.84 SLC40A1 (0.55) PGRSCN9AKDM1ASLC40A1ALDH1A1
SCHEMBL4777634 0.80 SLC40A1 (0.47) PGRSCN9AKDM1AMAOASLC40A1
SCHEMBL18315257 0.80 KEAP1 (0.50) PGRSLC40A1GLO1KMT2ACCR9
SCHEMBL30304671 0.80 KEAP1 (0.50) PGRSLC40A1GLO1KMT2ACCR9
SCHEMBL3098055 0.80 AXL (0.52) PGRSCN9ASLC40A1GLO1GAA
SCHEMBL3095682 0.78 PIK3C2B (0.36) PGRSCN9AKDM1AMAOAALDH1A1
SCHEMBL4781526 0.78 MEN1 (0.48) SCN9AALDH1A1PKMKMT2ACCR9

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