SCHEMBL9710517

SCHEMBL9710517

N=C(N)c1ccc(C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3ccccc3c2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.57
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
PLG P00747 4/20 0.51
TMPRSS6 Q8IU80 4/20 0.51
F10 P00742 4/20 0.51
CA2 P00918 1/20 0.51
PLAU P00749 1/20 0.51
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50

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
SCHEMBL9710389 0.88 F2 (0.70) F2ITGB3ITGA2BPLGTMPRSS6
SCHEMBL9257772 0.82 MMP9 (0.73) F2ITGB3ITGA2BMMP2MMP9
SCHEMBL3419341 0.82 F2 (0.60) F2ITGB3ITGA2BPLGTMPRSS6
SCHEMBL8823969 0.82 CA2 (0.56) F2ITGB3ITGA2BPLGTMPRSS6
SCHEMBL3057528 0.82 F2 (0.60) F2ITGB3ITGA2BPLGTMPRSS6
SCHEMBL8954940 0.81 PLG (0.65) PLGF10PLAU
SCHEMBL8954699 0.78 PLG (0.74) F2PLGF10PLAU
SCHEMBL9665995 0.78 PLG (0.74) F2PLGF10PLAU
SCHEMBL9710523 0.78 CA2 (0.50) F2ITGB3ITGA2BPLGTMPRSS6
SCHEMBL18229018 0.77 F2 (0.52) F2CA2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 WO disclosed