SCHEMBL6445902

SCHEMBL6445902

COc1cc2c(cc1OC)N(CC(=O)NCc1ccc(Nc3nc4ccccc4[nH]3)cc1)C(=O)CC[CH]2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.59
ITGAV P06756 12/20 0.59
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 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
SCHEMBL6445908 0.86 ITGB3 (0.58) ITGB3ITGAVTP53MEN1KMT2A
SCHEMBL5026318 0.83 ITGB3 (0.79) ITGB3ITGAVTP53
SCHEMBL6444230 0.80 ITGB3 (0.68) ITGB3ITGAVTP53LMNAMEN1
SCHEMBL6440168 0.77 ITGB3 (0.67) ITGB3ITGAV
SCHEMBL5026328 0.77 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL5026276 0.75 ITGB3 (0.68) ITGB3ITGAV
SCHEMBL6470347 0.74 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5028370 0.74 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5028419 0.74 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5025374 0.74 ITGB3 (1.00) ITGB3ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed