SCHEMBL8313229

SCHEMBL8313229

O=C(O)COc1cccc(C(CNC(=O)c2cc3c(s2)CCNC3)Oc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.57
ITGA2B P08514 11/20 0.57
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
PNMT P11086 2/20 0.36
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
GPR132 Q9UNW8 1/20 0.33

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 0.93 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318651 0.89 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8314669 0.87 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313239 0.85 ITGB3 (0.62) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318658 0.83 ITGB3 (0.48) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319013 0.82 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319027 0.81 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319022 0.81 ITGB3 (0.44) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8555663 0.77 ITGB3 (0.47) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8315797 0.77 ITGB3 (0.48) 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 claimed