SCHEMBL6136721

SCHEMBL6136721

N#Cc1ccc(NC2=C(Nc3cccc(Cl)c3Cl)CC2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.46
CXCR1 P25024 2/20 0.42
IDO1 P14902 1/20 0.37
SRC P12931 1/20 0.36
DHODH Q02127 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
P2RX1 P51575 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33

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
SCHEMBL6105265 0.83 CXCR2 (0.67) CXCR2CXCR1IDO1SRCDHODH
SCHEMBL5595003 0.77 CXCR2 (0.66) CXCR2CXCR1MEN1KMT2AKDM4E
SCHEMBL6129952 0.76 CXCR2 (0.45) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL7063167 0.74 CXCR2 (0.46) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL7063170 0.74 CXCR2 (0.46) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL6931689 0.73 CXCR2 (0.42) CXCR2CXCR1SRCTAS1R3TAS1R1
SCHEMBL6104139 0.72 CXCR2 (0.74) CXCR2CXCR1IDO1KMT2AKDM4E
SCHEMBL7489083 0.69 CXCR2 (0.69) CXCR2CXCR1TAS1R3TAS1R1TAS1R2
SCHEMBL7514963 0.69 CXCR2 (0.73) CXCR2CXCR1MEN1KMT2AKDM4E
SCHEMBL13587230 0.69 NPC1 (0.40) CXCR2IDO1SRCDHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284956-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-24 EP claimed
JP-2004509070-A 2004-03-25 JP claimed
EP-1284956-A1 IL-8 RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-02-26 EP claimed
WO-2001092202-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-06 WO claimed