SCHEMBL4236953

SCHEMBL4236953

O=C(O)C[C@@H](c1ccccc1)[S+]([O-])c1ccc(NC(=O)c2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.47
ADRA2B P18089 6/20 0.47
ADRA2C P18825 6/20 0.47
ITGB3 P05106 10/20 0.44
ITGAV P06756 10/20 0.44
ITGA2B P08514 10/20 0.44
PTGIR P43119 3/20 0.41
ITGB1 P05556 7/20 0.41
ITGB5 P18084 7/20 0.41
FDPS P14324 1/20 0.39

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
SCHEMBL2836514 1.00 ADRA2A (0.47) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2837003 0.95 ITGB3 (0.48) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2836387 0.93 ITGB3 (0.43) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2834304 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL4562249 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2842106 0.91 ITGB3 (0.46) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2833052 0.88 ITGB3 (0.44) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL4372793 0.87 ADRA2A (0.46) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2833713 0.87 ADRA2A (0.46) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL2833818 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5

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
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed