SCHEMBL8530936

SCHEMBL8530936

O=C(O)C(Cc1cccc(NC2=NCCN2)c1)OC(CO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.45
ITGAV P06756 12/20 0.45
ITGA2B P08514 6/20 0.45
ITGB1 P05556 2/20 0.40
ITGB5 P18084 2/20 0.40
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
PTGIR P43119 2/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL7863191 0.71 KMT2A (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7997106 0.69 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL14367989 0.68 NISCH (0.58) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL2837241 0.68 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.67 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8345145 0.67 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8357385 0.67 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2832142 0.67 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2841214 0.67 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.66 ADRA2A (0.57) 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
US-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed