SCHEMBL7294121

SCHEMBL7294121

N=C(N)c1ccc(C(=O)NCC(=O)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.67
ITGA2B P08514 5/20 0.67
PRSS1 P07477 7/20 0.51
TMPRSS15 P98073 1/20 0.51
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
F10 P00742 1/20 0.47
TMPRSS2 O15393 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.45
PLAU P00749 1/20 0.45
PRMT1 Q99873 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 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
SCHEMBL7292847 0.88 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15F10
Hydrochloric Acid SCHEMBL9270486 0.87 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15F10
SCHEMBL7282886 0.86 ITGB3 (0.65) ITGB3ITGA2BPRSS1TMPRSS2F2
SCHEMBL7122825 0.85 ITGB3 (0.75) ITGB3ITGA2BPRSS1F10TMPRSS2
SCHEMBL7291480 0.84 ITGB3 (0.66) ITGB3ITGA2BPRSS1F10TMPRSS2
Hydrochloric Acid SCHEMBL9636418 0.84 ITGB3 (0.49) ITGB3ITGA2BPRSS1TMPRSS15EPHX2
Hydrochloric Acid SCHEMBL9268803 0.84 ITGB3 (0.49) ITGB3ITGA2BPRSS1TMPRSS15EPHX2
Hydrochloric Acid SCHEMBL8040370 0.84 ITGB3 (0.73) ITGB3ITGA2BPRSS1F10TMPRSS2
SCHEMBL8381464 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1F10TMPRSS2
SCHEMBL7303302 0.83 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed
US-5399585-A Anitcoagulants, antiinflammatory, antitumor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5084466-A Anticoagulants, antiinflammatory agents, atheriosclerosis and antitumor agents HOFFMANN-LA ROCHE INC. (US) 1992-01-28 US disclosed