SCHEMBL6445908

SCHEMBL6445908

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGAV P06756 12/20 0.58
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6440168 0.88 ITGB3 (0.67) ITGB3ITGAVL3MBTL1
SCHEMBL6445902 0.86 ITGB3 (0.59) ITGB3ITGAVTP53MEN1KMT2A
SCHEMBL5026318 0.82 ITGB3 (0.79) ITGB3ITGAVTP53
SCHEMBL6444230 0.79 ITGB3 (0.68) ITGB3ITGAVTP53MEN1KMT2A
SCHEMBL5026328 0.76 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL6444182 0.75 ITGB3 (0.56) ITGB3ITGAVTP53NPC1RAB9A
SCHEMBL6441545 0.75 ITGB3 (0.57) ITGB3ITGAVTP53NPC1RAB9A
SCHEMBL6445537 0.74 ITGB3 (0.49) ITGB3ITGAVTP53MEN1KMT2A
SCHEMBL5026276 0.74 ITGB3 (0.68) ITGB3ITGAV
SCHEMBL6470347 0.74 ITGB3 (0.71) 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