SCHEMBL7302514

SCHEMBL7302514

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
ALDH1A1 P00352 2/20 0.50
TBXA2R P21731 1/20 0.50
TBXAS1 P24557 1/20 0.50
TMPRSS6 Q8IU80 4/20 0.49
IDO1 P14902 1/20 0.46
KAT6A Q92794 1/20 0.46
F2 P00734 1/20 0.45
POLB P06746 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7306473 0.90 POLB (0.58) ITGB3ITGA2BALDH1A1TMPRSS6F2
Hydrochloric Acid SCHEMBL9274595 0.89 POLB (0.57) ITGB3ITGA2BALDH1A1TMPRSS6F2
SCHEMBL7292860 0.85 TBXA2R (0.72) ITGB3ITGA2BALDH1A1TBXA2RTBXAS1
SCHEMBL7302709 0.83 ITGB3 (0.49) ITGB3ITGA2BALDH1A1TBXA2RTBXAS1
SCHEMBL9452076 0.82 MEP1B (0.58) ITGB3ITGA2BTBXA2RTMPRSS6KAT6A
SCHEMBL7122825 0.81 ITGB3 (0.75) ITGB3ITGA2BF2PRSS1
SCHEMBL7291480 0.80 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1
Hydrochloric Acid SCHEMBL8040370 0.80 ITGB3 (0.73) ITGB3ITGA2BF2PRSS1
SCHEMBL7294121 0.80 ITGB3 (0.67) ITGB3ITGA2BALDH1A1F2PRSS1
SCHEMBL7670445 0.79 TMPRSS6 (0.51) ITGB3ITGA2BTMPRSS6F2MMP1

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
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
EP-0381033-A1 Carboxylic-acid and sulphonic-acid amides F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP disclosed