SCHEMBL9318262

SCHEMBL9318262

CC(=O)OC(=O)CCN1CC(=O)N(C)c2ccc(Nc3cccc(C(=N)N)c3)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
F10 P00742 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
F2 P00734 2/20 0.31
PRSS1 P07477 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL7358608 0.92 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77APP
SCHEMBL9317817 0.90 ITGB3 (0.51) ITGB3ITGA2BPRMT5WDR77MAPT
Acetic Acid SCHEMBL9318257 0.89 ITGB3 (0.62) ITGB3ITGA2BPRMT5WDR77USP2
SCHEMBL9317712 0.82 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77F10
Acetic Acid SCHEMBL9317585 0.81 ITGB3 (0.57) ITGB3ITGA2BPRMT5WDR77F10
Acetic Acid SCHEMBL7358601 0.81 ITGB3 (0.70) ITGB3ITGA2BPRMT5WDR77
SCHEMBL7334232 0.80 ITGB3 (0.45) ITGB3ITGA2BPRMT5WDR77LMNA
SCHEMBL7329437 0.80 ITGB3 (0.45) ITGB3ITGA2BMAPTLMNA
SCHEMBL9319480 0.80 ITGB3 (0.45) ITGB3ITGA2BPRMT5WDR77
SCHEMBL7330253 0.80 ITGB3 (0.49) ITGB3ITGA2BF10F2PRSS1

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