SCHEMBL6817587

SCHEMBL6817587

Nc1cccc(N)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.56
HTR6 P50406 2/20 0.56
IL1RN P18510 1/20 0.55
ERAP1 Q9NZ08 1/20 0.55
FFAR4 Q5NUL3 3/20 0.55
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
POLB P06746 1/20 0.51
CYTH2 Q99418 1/20 0.51
HPGD P15428 2/20 0.50
NAT1 P18440 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
RECQL P46063 1/20 0.49

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
SCHEMBL6807829 0.88 G6PD (0.56) KEAP1HTR6IL1RNERAP1FFAR4
SCHEMBL30737452 0.80 ALDH1A1 (0.58) KEAP1HTR6IL1RNERAP1FFAR4
SCHEMBL2068236 0.80 ALDH1A1 (0.58) KEAP1HTR6IL1RNERAP1FFAR4
Hydrochloric Acid SCHEMBL29885455 0.78 ALDH1A1 (0.56) KEAP1HTR6IL1RNERAP1FFAR4
SCHEMBL5822638 0.78 FFAR4 (0.72) KEAP1IL1RNERAP1FFAR4ALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL11498245 0.77 KEAP1 (0.67) KEAP1HTR6IL1RNERAP1FFAR4
SCHEMBL5796892 0.76 PKM (0.57) KEAP1IL1RNERAP1FFAR4ALDH1A1
SCHEMBL27849249 0.76 MAOA (0.53) KEAP1FFAR4ALDH1A1KMT2AMEN1
SCHEMBL4955668 0.75 KEAP1 (0.59) KEAP1IL1RNERAP1FFAR4ALDH1A1
SCHEMBL6807722 0.74 CYTH2 (0.54) KEAP1HTR6FFAR4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185265-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1185265-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6300325-B1 HETEROCYCLIC RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION 2001-10-09 US disclosed
WO-2000076501-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0991406-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-12-13 EP disclosed
EP-0991406-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998032439-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-30 WO disclosed