SCHEMBL6824698

SCHEMBL6824698

NC(=O)N(c1ccccc1Br)c1ccc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BCAT2 O15382 2/20 0.33
AKR1C4 P17516 1/20 0.33
FABP4 P15090 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.31
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
EGFR P00533 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
SCHEMBL27499553 0.76 ACMSD (0.43) HNF4AAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL27519456 0.75 MMP2 (0.44) HNF4AAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL5594733 0.75 MMP2 (0.39)
SCHEMBL27499546 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27587734 0.74 CXCR2 (0.45)
SCHEMBL27516293 0.74 KDM4E (0.38) ALDH1A1LMNAEGFR
SCHEMBL6826215 0.73 ALB (0.38) AKR1C2AKR1C1ALDH1A1EGFR
SCHEMBL27500469 0.73 ESR1 (0.31)
SCHEMBL27519344 0.73 CXCR2 (0.37) ALDH1A1PLAUPLAT
SCHEMBL27576157 0.73 HNF4A (0.54) HNF4AAKR1C3AKR1C2AKR1C1ALDH1A1

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 5 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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN 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
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed