SCHEMBL7484157

SCHEMBL7484157

O=C(Nc1ccccc1Br)Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1O.O=C(Nc1ccccc1Br)Nc1cccc(C(F)(F)F)c1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.46
CXCR1 P25024 9/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
FABP4 P15090 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL5594826 0.89 CXCR2 (0.57) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL3710835 0.86 HTT (0.56) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL7490879 0.81 ALDH1A1 (0.52) CXCR2MEN1KMT2AFABP4KDM4E
SCHEMBL7484160 0.81 FABP4 (0.39) HTTMEN1KMT2ANPC1LMNA
SCHEMBL6823287 0.80 CXCR2 (0.60) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL5595150 0.75 HTT (0.56) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL5612816 0.73 MEN1 (0.58) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL27556175 0.73 CXCR2 (0.58) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL6820254 0.72 HTT (0.52) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL5595207 0.72 HTT (0.52) CXCR2CXCR1HTTMEN1KMT2A

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