SCHEMBL6879623

SCHEMBL6879623

CC(C)CS(=O)(=O)N[C@@H](Cn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.32
CHKA P35790 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA1 Q15788 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL6873497 0.93 ITGB3 (0.36) MAPTKMT2ACHKAMEN1THRB
SCHEMBL6881802 0.92 ITGB3 (0.36) MAPTKMT2AMEN1THRBSIRT2
Benzene SCHEMBL6882109 0.91 MAPT (0.35) MAPTKMT2AMEN1THRBITGB3
SCHEMBL6879633 0.91 ITGB3 (0.35) MAPTKMT2AMEN1ITGB3ITGAV
SCHEMBL6882858 0.90 CHKA (0.34) MAPTKMT2ACHKAMEN1THRB
SCHEMBL6882095 0.90 STS (0.41) MAPTKMT2AMEN1ITGB3ITGAV
SCHEMBL6884349 0.88 ITGB3 (0.37) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6880260 0.87 ITGB3 (0.39) MAPTKMT2AITGB3ITGAVITGA2B
SCHEMBL6873951 0.87 ITGB3 (0.41) MAPTCHKAITGB3ITGAVITGA2B
SCHEMBL6881852 0.86 ITGB3 (0.38) MAPTKMT2AMEN1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747016-B1 TREATING OSTEOPOROSIS IN WARM-BLOODED ANIMALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-08 US disclosed
EP-1196416-B1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-03-24 EP disclosed
EP-1196416-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP disclosed
WO-2001002399-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-11 WO disclosed
EP-1065208-A1 Substituted purine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed