SCHEMBL7420368

SCHEMBL7420368

N=C(N)NCCCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
F2 P00734 6/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
NPY5R Q15761 2/20 0.46
ITGAV P06756 1/20 0.46
F10 P00742 1/20 0.45

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
SCHEMBL7420373 1.00 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1F2ITGB3
SCHEMBL3298844 0.92 F2 (0.52) SLC1A3SLC1A2SLC1A1F2NPY5R
SCHEMBL28235262 0.87 ITGB3 (0.43) F2ITGB3ITGA2BITGAV
SCHEMBL28235261 0.86 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL6877985 0.85 ITGAV (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8492995 0.85 ITGAV (0.57) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL8352258 0.85 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1F2ITGB3
SCHEMBL4642667 0.84 NPY5R (0.52) F2NPY5RF10
SCHEMBL3448321 0.83 MMP9 (0.58) ITGB3ITGA2B
SCHEMBL3448325 0.83 MMP9 (0.58) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52046059-A None JP disclosed
JP-52139050-A None JP disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
JP-S52139050-A PREPARATION OF INSOLUBLE CARRIERS MITSUBISHI CHEM IND LTD 1977-11-19 JP disclosed
JP-S5246059-A PROCESS FOR PREPARATION OF N -NAPHTHALENESULFONYLARGININE ESTERS OR TH EIR ACID SALTS MITSUBISHI CHEM IND LTD 1977-04-12 JP disclosed