SCHEMBL7488390

SCHEMBL7488390

Cc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1C#N.O=C(Nc1cccc(C(=O)Nc2ccccc2O)c1)Nc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.53
CXCR1 P25024 8/20 0.53
RAB9A P51151 4/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IDH1 O75874 1/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DDX3X O00571 1/20 0.41
F11 P03951 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL5605208 0.84 RAB9A (0.58) CXCR2CXCR1RAB9AHTTALDH1A1
SCHEMBL3704458 0.83 CXCR2 (0.73) CXCR2CXCR1RAB9AHTTIDH1
SCHEMBL7488394 0.80 CXCR2 (0.57) CXCR2CXCR1RAB9AHTTALDH1A1
SCHEMBL7492930 0.78 CXCR2 (0.72) CXCR2CXCR1HTTIDH1MEN1
SCHEMBL24421980 0.72 CXCR1 (0.46) CXCR2CXCR1RAB9AHTTALDH1A1
SCHEMBL7487837 0.70 CXCR2 (1.00) CXCR2CXCR1RAB9AHTTALDH1A1
SCHEMBL7897789 0.70 CXCR1 (0.64) CXCR2CXCR1RAB9AHTTALDH1A1
SCHEMBL5832789 0.69 NPC1 (0.57) RAB9AHTTALDH1A1NPC1MEN1
SCHEMBL7254811 0.69 RAB9A (0.71) RAB9AHTTALDH1A1NPC1MEN1
SCHEMBL6924667 0.69 CXCR1 (0.73) CXCR2CXCR1RAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed