SCHEMBL8538690

SCHEMBL8538690

CCOC(=O)CC(NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.47
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 0.47
F10 P00742 5/20 0.47
PRSS1 P07477 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8539444 0.90 ITGB3 (0.47) F2ITGB3ITGA2BF10PRSS1
SCHEMBL8543639 0.88 ITGB3 (0.57) F2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8539907 0.85 ITGB3 (0.37) F2ITGB3ITGA2BF10PRSS1
SCHEMBL9053763 0.83 ITGB3 (0.44) F2ITGB3ITGA2BF10PRSS1
Trifluoroacetic Acid SCHEMBL7398703 0.83 ITGB3 (0.39) F2ITGB3ITGA2BF10PRSS1
SCHEMBL8538685 0.81 F7 (0.39) F2PRSS1LMNA
Trifluoroacetic Acid SCHEMBL7399230 0.80 ITGB3 (0.42) F2ITGB3ITGA2BF10PRSS1
SCHEMBL8538850 0.79 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL8538055 0.77 ITGB3 (0.54) F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8538673 0.77 ITGB3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed