SCHEMBL8317508

SCHEMBL8317508

O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1Cn1ccnc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.70
ITGA2B P08514 11/20 0.70
TBXAS1 P24557 5/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
PNMT P11086 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL8318810 0.96 ITGB3 (0.65) ITGB3ITGA2BTBXAS1ALDH1A1GAA
SCHEMBL8318813 0.90 ITGB3 (0.56) ITGB3ITGA2BTBXAS1ALDH1A1GAA
SCHEMBL7680039 0.83 ITGB3 (1.00) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
SCHEMBL8319848 0.82 ITGB3 (0.47) ITGB3ITGA2BTBXAS1ALDH1A1GAA
SCHEMBL8318299 0.81 ITGB3 (0.69) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8556044 0.79 ITGB3 (0.90) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8318794 0.78 ITGB3 (0.64) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8558553 0.77 ITGB3 (0.78) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
SCHEMBL8558560 0.77 ITGB3 (0.82) ITGB3ITGA2BALDH1A1TPSAB1TPSD1
SCHEMBL29380494 0.74 ITGB3 (0.80) ITGB3ITGA2BALDH1A1TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP claimed