SCHEMBL8555210

SCHEMBL8555210

O=C(O)COc1ccc(NC(=O)c2cc3c(s2)CCNC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.73
ITGA2B P08514 9/20 0.73
TPSAB1 Q15661 1/20 0.58
TPSD1 Q9BZJ3 1/20 0.58
TPSG1 Q9NRR2 1/20 0.58
PNMT P11086 2/20 0.48
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
ITGB1 P05556 1/20 0.41

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
SCHEMBL19086177 0.83 PNMT (0.58) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL13822830 0.81 PNMT (0.59) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8557628 0.80 ITGB3 (0.89) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8555202 0.79 ITGB3 (0.67) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8315226 0.77 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8557436 0.76 ITGB3 (0.70) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313239 0.76 ITGB3 (0.62) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7680039 0.75 ITGB3 (1.00) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318464 0.75 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8555000 0.75 ITGB3 (0.75) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed