SCHEMBL6136877

SCHEMBL6136877

O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KIF18A Q8NI77 1/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
GPR35 Q9HC97 1/20 0.40
VCAM1 P19320 5/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39

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
SCHEMBL974628 0.83 KMT2A (0.53) TDP1CRHBPCRHR2KIF18AKMT2A
SCHEMBL28391943 0.81 TDP1 (0.81) TDP1TSHRMAPK1GPR35VCAM1
SCHEMBL9138187 0.77 KMT2A (0.41) TDP1CRHBPCRHR2KIF18AKMT2A
SCHEMBL30821752 0.76 KIF18A (0.64) KIF18ATSHRMAPK1VCAM1
SCHEMBL2062571 0.76 MAPK1 (0.58) KIF18AKMT2ATSHRMAPK1MEN1
SCHEMBL2768289 0.76 TDP1 (0.60) TDP1CRHBPCRHR2TSHRMAPK1
SCHEMBL1052777 0.76 KIF18A (0.64) KIF18ATSHRMAPK1VCAM1
SCHEMBL140100 0.74 TDP1 (0.53) TDP1KIF18AKMT2ATSHRMEN1
SCHEMBL278488 0.73 TDP1 (1.00) TDP1TSHRMAPK1CA1CA2
SCHEMBL17278 0.72 KMT2A (0.70) TDP1KMT2AMEN1CA1CA2

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-1261329-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1261329-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP disclosed
WO-2001068033-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed