SCHEMBL9317817

SCHEMBL9317817

CCOC(=O)CCN1CC(=O)N(C)c2ccc(Nc3cccc(C(=N)N)c3)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
F10 P00742 6/20 0.37
F2 P00734 4/20 0.37
TNF P01375 2/20 0.35
PRSS1 P07477 1/20 0.35
MAPT P10636 1/20 0.35
CDC25B P30305 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9317712 0.92 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77F10
SCHEMBL7330253 0.90 ITGB3 (0.49) ITGB3ITGA2BF10F2PRSS1
Acetic Acid SCHEMBL9317585 0.90 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77F10
SCHEMBL9318262 0.90 ITGB3 (0.51) ITGB3ITGA2BPRMT5WDR77F10
Acetic Acid SCHEMBL9318257 0.87 ITGB3 (0.62) ITGB3ITGA2BPRMT5WDR77MAPT
SCHEMBL7326457 0.85 ITGB3 (0.56) ITGB3ITGA2BF10F2
SCHEMBL7331720 0.85 ITGB3 (0.67) ITGB3ITGA2BF10F2TNF
SCHEMBL9317827 0.84 ITGB3 (0.42) ITGB3ITGA2BPRMT5WDR77HDAC6
Acetic Acid SCHEMBL7331206 0.83 ITGB3 (0.56) ITGB3ITGA2BF10F2
SCHEMBL7358608 0.82 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77

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-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed