SCHEMBL7293149

SCHEMBL7293149

N=C(N)c1ccc(CCC(=O)NCc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGA2B P08514 7/20 0.55
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
ST14 Q9Y5Y6 2/20 0.48
MRGPRX1 Q96LB2 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F2 P00734 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
PRSS1 P07477 1/20 0.46
TMPRSS15 P98073 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9274240 0.88 MAPT (0.52) ITGB3ITGA2BST14LMNASMN1; SMN2
SCHEMBL7303187 0.88 ITGB3 (0.56) ITGB3ITGA2BEPHX2NR1H4ST14
SCHEMBL7303301 0.88 ITGB3 (0.56) ITGB3ITGA2BEPHX2NR1H4ST14
Iodide SCHEMBL9261540 0.87 MAPT (0.51) ITGB3ITGA2BST14LMNASMN1; SMN2
SCHEMBL7297922 0.86 ITGB3 (0.54) ITGB3ITGA2BMRGPRX1ALDH1A1KMT2A
SCHEMBL7293128 0.86 ITGB3 (0.54) ITGB3ITGA2BMRGPRX1ALDH1A1KMT2A
SCHEMBL5037627 0.85 ITGB3 (0.59) ITGB3ITGA2BEPHX2NR1H4ST14
SCHEMBL7303302 0.81 ITGB3 (0.66) ITGB3ITGA2BEPHX2NR1H4ST14
SCHEMBL9272405 0.81 ITGB3 (0.66) ITGB3ITGA2BEPHX2NR1H4ST14
SCHEMBL7393093 0.81 AKR1B1 (0.55) EPHX2NR1H4LMNASMN1; SMN2ALDH1A1

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
EP-0680341-A1 PHASE SHIFT COLLOIDS AS ULTRASOUND CONTRAST AGENTS SONUS PHARMACEUTICALS, INC. (US) 1995-11-08 EP disclosed
WO-1994016739-A1 PHASE SHIFT COLLOIDS AS ULTRASOUND CONTRAST AGENTS SONUS PHARMACEUTICALS, INC. (US) 1994-08-04 WO disclosed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed