SCHEMBL7209838

SCHEMBL7209838

NCCCCCNC(=O)C(=O)NCCCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.64
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALOX15 P16050 3/20 0.48
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CYP1A2 P05177 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL7211245 0.97 PAOX (0.67) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL7214675 0.97 PAOX (0.67) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL8962152 0.97 PAOX (0.67) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL7209763 0.97 PAOX (0.67) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL7210069 0.97 PAOX (0.67) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL20561185 0.95 PAOX (0.62) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL6892383 0.92 PAOX (0.52) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL7214660 0.90 PAOX (0.58) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL8962182 0.86 PAOX (0.59) PAOXGNAI3GNAO1GNAI1MAOA
SCHEMBL7214695 0.85 PAOX (0.64) PAOXGNAI3GNAO1GNAI1MAOA

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
EP-0920434-A3 BIS-PLATINUM COMPLEXES WITH POLYMETHYLENE DERIVATIVES AS LIGANDS HAVING ANTITUMOR ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-0920434-B1 BIS-PLATINUM COMPLEXES WITH POLYMETHYLENE DERIVATIVES AS LIGANDS HAVING ANTITUMOR ACTIVITY HOFFMANN LA ROCHE (CH) 2002-10-16 EP disclosed
US-6060616-A ANTITUMORS AGENTS; LEUKEMIA, OVARIAN CARCINOMA HOFFMANN-LA ROCHE INC. (US) 2000-05-09 US disclosed
EP-0920434-A2 BIS-PLATINUM COMPLEXES WITH POLYMETHYLENE DERIVATIVES AS LIGANDS HAVING ANTITUMOR ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed
WO-1998003518-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYMETHYLENE DERIVATIVES AS LIGANDS HAVING ANTITUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed