SCHEMBL6824149

SCHEMBL6824149

NC(=O)N(c1ccccc1Br)c1cccc(C(F)(F)F)c1O.O=C(Nc1ccccc1Br)Nc1cccc(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.48
CXCR1 P25024 9/20 0.48
HTT P42858 2/20 0.39
TRPV1 Q8NER1 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6823287 0.87 CXCR2 (0.60) CXCR2CXCR1HTTTRPV1MEN1
SCHEMBL27535605 0.83 SMN1; SMN2 (0.39) TRPV1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3710835 0.81 HTT (0.56) CXCR2CXCR1HTTTRPV1MEN1
SCHEMBL27519344 0.77 CXCR2 (0.37) CXCR2CXCR1TDP1L3MBTL1
SCHEMBL6822942 0.77 CXCR2 (0.73) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL3706591 0.77 CXCR2 (0.73) CXCR2CXCR1HTTMEN1KMT2A
SCHEMBL7549667 0.76 KDR (0.59) HTTTRPV1MEN1KMT2AKDM4E
SCHEMBL7549619 0.73 MEN1 (0.56) CXCR2TRPV1MEN1KMT2AKDM4E
SCHEMBL27535606 0.70 MEN1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL7484157 0.69 CXCR2 (0.46) CXCR2CXCR1HTTTRPV1MEN1

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-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 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