SCHEMBL5594997

SCHEMBL5594997

O=C(Nc1ccccc1Br)N(c1cccc(I)c1O)N(C(=O)Nc1ccccc1Br)c1ccc(C(F)(F)F)c(F)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 3/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX2 P34913 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ATM Q13315 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL5594996 0.80 CXCR2 (0.48) SMN1; SMN2HTTCA12CA1CA2
SCHEMBL7484160 0.74 FABP4 (0.39) SMN1; SMN2HTTPDK1PDK2PDK3
SCHEMBL5595150 0.73 HTT (0.56) SMN1; SMN2HTTPDK1PDK2PDK3
SCHEMBL5594961 0.67 CXCR2 (0.60) HTTALDH1A1SIRT2CXCR1CXCR2
SCHEMBL6920144 0.67 HTT (0.50) HTTPDK1PDK2PDK3PDK4
SCHEMBL3710835 0.66 HTT (0.56) SMN1; SMN2HTTPDK1PDK2PDK3
SCHEMBL7492145 0.64 CXCR2 (0.51) SMN1; SMN2HTTL3MBTL1ALDH1A1CXCR1
SCHEMBL2936256 0.63 SMN1; SMN2 (0.78) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL4360059 0.62 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL6823287 0.62 CXCR2 (0.60) SMN1; SMN2HTTCXCR1CXCR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed