SCHEMBL7363271

SCHEMBL7363271

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)cc2)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.78
ITGB3 P05106 3/20 0.71
ITGA2B P08514 3/20 0.71
MMP9 P14780 2/20 0.64
HPN P05981 7/20 0.61
PLAU P00749 6/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
F2 P00734 3/20 0.59
TMPRSS6 Q8IU80 2/20 0.59
MMP2 P08253 1/20 0.56

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
SCHEMBL7363270 1.00 TDP1 (0.78) TDP1ITGB3ITGA2BMMP9HPN
SCHEMBL7208206 0.88 HPN (0.74) TDP1ITGB3ITGA2BMMP9HPN
SCHEMBL11648132 0.86 MMP9 (0.68) TDP1ITGB3ITGA2BMMP9HPN
SCHEMBL6252463 0.84 TDP1 (0.79) TDP1ITGB3ITGA2BMMP9L3MBTL1
SCHEMBL4522161 0.84 TDP1 (0.79) TDP1ITGB3ITGA2BMMP9L3MBTL1
SCHEMBL697476 0.83 MMP2 (0.79) TDP1MMP9MMP2
SCHEMBL697477 0.83 MMP2 (0.79) TDP1MMP9MMP2
SCHEMBL1203540 0.83 MMP2 (0.79) TDP1MMP9MMP2
SCHEMBL8063645 0.83 TDP1 (0.78) TDP1MMP9L3MBTL1MEN1KMT2A
SCHEMBL8650150 0.83 TDP1 (0.77) TDP1MMP9L3MBTL1MEN1KMT2A

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
CN-1265668-A Substituted phenylalanine-type compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed