SCHEMBL8318658

SCHEMBL8318658

O=C(COc1ccc(C(CNC(=O)c2cc3c(s2)CCNC3)Oc2cccnc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
PNMT P11086 2/20 0.34
MAPT P10636 1/20 0.33
SLC8A1 P32418 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTK2B Q14289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL8318651 0.91 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318464 0.89 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318206 0.87 TPSAB1 (0.40) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8314669 0.84 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313229 0.83 ITGB3 (0.57) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8320414 0.81 ITGB3 (0.47) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555657 0.81 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319013 0.80 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319027 0.80 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319022 0.79 ITGB3 (0.44) 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 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 disclosed