SCHEMBL8318237

SCHEMBL8318237

O=C(O)COc1ccc(C(CNC(=O)c2cc3c(s2)CCNC3)C2c3cccnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.60
ITGA2B P08514 10/20 0.60
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
PNMT P11086 2/20 0.36
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.34
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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 SCHEMBL8321202 0.96 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313239 0.82 ITGB3 (0.62) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318464 0.81 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8315226 0.78 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318651 0.77 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313229 0.75 ITGB3 (0.57) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555210 0.74 ITGB3 (0.73) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8320411 0.74 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8555649 0.72 ITGB3 (0.66) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8437075 0.72 ITGB3 (0.64) 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