SCHEMBL8313239

SCHEMBL8313239

O=C(O)COc1ccc(C(CNC(=O)c2cc3c(s2)CCNC3)c2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.62
ITGA2B P08514 11/20 0.62
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
PNMT P11086 2/20 0.37
TP53 P04637 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
SLC8A1 P32418 1/20 0.34

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
SCHEMBL8318464 0.89 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313229 0.85 ITGB3 (0.57) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318651 0.85 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318237 0.82 ITGB3 (0.60) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8315226 0.81 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8314669 0.79 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318658 0.79 ITGB3 (0.48) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8321202 0.78 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8320411 0.77 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319027 0.77 ITGB3 (0.46) 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 2 patents. 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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed