SCHEMBL7293128

SCHEMBL7293128

N=C(N)c1ccc(NC(=O)CCc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.54
ITGA2B P08514 9/20 0.54
HDAC1 Q13547 1/20 0.51
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MRGPRX1 Q96LB2 1/20 0.48

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
SCHEMBL7297922 1.00 ITGB3 (0.54) ITGB3ITGA2BHDAC1MAPTMAPK1
SCHEMBL9270255 0.88 MEN1 (0.52) ITGB3ITGA2BHDAC1MAPTMEN1
SCHEMBL7303533 0.88 MEN1 (0.52) ITGB3ITGA2BHDAC1MAPTMEN1
SCHEMBL7292044 0.88 HDAC1 (0.51) ITGB3ITGA2BHDAC1MAPTMAPK1
Hydrochloric Acid SCHEMBL9271864 0.87 MEN1 (0.51) ITGB3ITGA2BHDAC1MAPTMEN1
SCHEMBL7493453 0.87 PRSS1 (0.58) MAPTMEN1KMT2AALDH1A1
SCHEMBL7293149 0.86 ITGB3 (0.55) ITGB3ITGA2BKMT2AALDH1A1MRGPRX1
SCHEMBL7302885 0.81 GAA (0.56) HDAC1MAPTMAPK1MEN1KMT2A
SCHEMBL7122825 0.80 ITGB3 (0.75) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8040370 0.79 ITGB3 (0.73) 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 7 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
EP-0381033-A1 Carboxylic-acid and sulphonic-acid amides F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP claimed
US-5399585-A Anitcoagulants, antiinflammatory, antitumor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP 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