SCHEMBL6441545

SCHEMBL6441545

CC(C)(C)C1C[C]c2ccccc2N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.57
ITGAV P06756 15/20 0.57
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6439782 0.86 ITGB3 (0.57) ITGB3ITGAVHSD17B10NPC1RAB9A
SCHEMBL6440168 0.84 ITGB3 (0.67) ITGB3ITGAVHSD17B10
SCHEMBL6441642 0.82 ITGB3 (0.53) ITGB3ITGAVPDE10A
SCHEMBL6439267 0.78 AURKA (0.37) ITGB3ITGAVHSD17B10PDE10A
SCHEMBL6445908 0.75 ITGB3 (0.58) ITGB3ITGAVNPC1RAB9ATP53
SCHEMBL6444230 0.74 ITGB3 (0.68) ITGB3ITGAVHSD17B10TP53
SCHEMBL6424300 0.73 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5026328 0.72 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL5028419 0.72 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5028370 0.72 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