SCHEMBL6884447

SCHEMBL6884447

O=C(NC1=NCCCN1)C1CCN(c2ncnc3c2ncn3C[C@H](NS(=O)(=O)Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
ITGAV P06756 8/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
UBE2N P61088 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGB5 P18084 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
LIMK2 P53671 1/20 0.35

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
SCHEMBL6882095 0.91 STS (0.41) ITGB3ITGA2BITGAVMEN1KMT2A
Benzene SCHEMBL6884463 0.90 ITGB3 (0.40) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6879633 0.89 ITGB3 (0.35) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6883915 0.89 ITGB3 (0.43) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6883107 0.88 ITGB3 (0.43) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6881843 0.86 CHKA (0.37) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6881029 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL6876078 0.86 ITGB3 (0.42) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL4640251 0.85 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5
SCHEMBL6881760 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGB5

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