SCHEMBL7415682

SCHEMBL7415682

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS6 Q8IU80 8/20 0.43
F2 P00734 7/20 0.43
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
ITGAV P06756 6/20 0.40
F10 P00742 3/20 0.40
ST14 Q9Y5Y6 3/20 0.40
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL7415008 0.91 F2 (0.42) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7415996 0.91 F2 (0.42) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7419584 0.91 F2 (0.42) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7417592 0.91 ITGB3 (0.49) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7699209 0.90 F2 (0.42) TMPRSS6F2ITGB3ITGA2B
SCHEMBL7412728 0.89 F2 (0.39) TMPRSS6F2ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7415680 0.89 ITGB3 (0.50) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7417130 0.89 F2 (0.45) TMPRSS6F2ITGB3ITGA2BF10
SCHEMBL7412096 0.88 MEN1 (0.43) TMPRSS6F2ITGB3ITGA2BITGAV
SCHEMBL7412996 0.88 ITGB3 (0.39) TMPRSS6F2ITGB3ITGA2BITGAV

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
US-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US disclosed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed