Benzene

Benzene

SCHEMBL6884463

CS(=O)(=O)N[C@@H](Cn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)C(=O)O.c1ccccc1

nearest known ligand 0.40

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGAV P06756 8/20 0.40
ITGA2B P08514 8/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LIMK2 P53671 2/20 0.36
STAT3 P40763 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
CHRM4 P08173 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
SCHEMBL6883915 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6879633 0.91 ITGB3 (0.35) ITGB3ITGAVITGA2BKMT2AMEN1
Benzene SCHEMBL6882109 0.91 MAPT (0.35) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6881843 0.90 CHKA (0.37) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6884447 0.90 ITGB3 (0.39) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6881760 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BLIMK2
SCHEMBL6883107 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6880511 0.89 ITGAV (0.46) ITGB3ITGAVITGA2BLMNA
SCHEMBL6881029 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6881785 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BMAPT

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