SCHEMBL8032363

SCHEMBL8032363

CN(C)CC[N+](C)=C(Nc1ccc(C#N)cc1O)Nc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.58
CXCR1 P25024 8/20 0.58
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADRB3 P13945 1/20 0.31
TSPO P30536 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CACNA1B Q00975 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL8032395 0.94 CXCR2 (0.56) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL8034418 0.80 CXCR2 (0.66) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL8022669 0.79 CXCR2 (0.65) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL8032068 0.79 CXCR2 (0.65) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL8022706 0.78 CXCR2 (0.66) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL3705632 0.75 CXCR2 (1.00) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL6824309 0.75 CXCR2 (1.00) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL5499098 0.75 CXCR2 (0.76) CXCR2CXCR1ALDH1A1KMT2AMEN1
SCHEMBL8032367 0.72 CXCR2 (0.49) CXCR2CXCR1ALDH1A1
SCHEMBL8031958 0.72 CXCR2 (0.35) CXCR2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000072800-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO disclosed