SCHEMBL6920143

SCHEMBL6920143

O=C(Nc1ccccc1Br)Nc1c(O)c(F)cc(F)c1F.O=C(Nc1ccccc1Br)Nc1c(O)c(F)cc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
CXCR1 P25024 11/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
CXCR2 P25025 12/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GRIK1 P39086 1/20 0.45

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
SCHEMBL5594846 1.00 HTT (0.61) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL6823585 0.87 CXCR1 (0.55) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL5594969 0.80 HTT (0.65) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL5594682 0.78 HTT (0.67) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL6825931 0.78 HTT (0.76) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL5595083 0.78 HTT (0.76) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL6920144 0.78 HTT (0.50) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL13235126 0.76 HTT (0.81) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL7488566 0.76 HTT (0.62) HTTCXCR1MEN1KMT2ANPC1
SCHEMBL6824241 0.72 HTT (0.62) HTTCXCR1MEN1KMT2ANPC1

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-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO 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