SCHEMBL5897289

SCHEMBL5897289

CC(C)(C)OC(=O)NCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.64
BRD4 O60885 1/20 0.54
ITGB3 P05106 10/20 0.49
ITGAV P06756 10/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 2/20 0.48
DDX3X O00571 1/20 0.47
AKR1C3 P42330 1/20 0.46

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
SCHEMBL6297783 0.79 BCHE (0.65) BCHEKMT2A
SCHEMBL2876095 0.79 BCHE (0.51) BCHEBRD4MEN1KMT2ANAMPT
SCHEMBL13609711 0.77 BCHE (0.69) BCHEMEN1KMT2A
SCHEMBL13058943 0.77 MEN1 (0.58) ITGB3ITGAVMEN1KMT2ADDX3X
SCHEMBL4640990 0.76 BCHE (0.87) BCHEBRD4
SCHEMBL7479240 0.76 MEN1 (0.52) BCHEITGB3ITGAVMEN1KMT2A
SCHEMBL13794054 0.76 BRD4 (0.56) BRD4MEN1KMT2ANAMPT
SCHEMBL3771108 0.75 ALDH1A1 (0.61) ITGB3ITGAVMEN1KMT2ADDX3X
SCHEMBL13058857 0.75 NPC1 (0.57) ITGB3ITGAVMEN1KMT2ADDX3X
SCHEMBL19004867 0.75 MEN1 (0.56) ITGB3ITGAVMEN1KMT2ADDX3X

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
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed