SCHEMBL7207224

SCHEMBL7207224

CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
CYP3A4 P08684 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
CASP2 P42575 1/20 0.47
CAPN1 P07384 1/20 0.47
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.46
HDAC8 Q9BY41 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
SCHEMBL31248065 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL3288412 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL14086303 0.94 MAOA (0.66) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL5267898 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL14073707 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL23616304 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL12160128 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL6535307 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL20542889 0.94 TDP1 (0.61) TDP1MAOAMAOBCYP3A4MEN1
SCHEMBL31251932 0.94 TDP1 (0.81) TDP1MAOAMAOBCYP3A4MEN1

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 10 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-0912584-B1 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2002-12-18 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-6111112-A Synthesis of 3-amino-2-chloro-4-methylpyridine from malononitrile and acetone BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-08-29 US disclosed
US-6022892-A Bis-platinum complexes with polyamine ligands as antitumor agents HOFFMAN-LA ROCHE INC. (US) 2000-02-08 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
EP-0912584-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-06 EP disclosed
WO-1998003519-A9 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS 1998-07-16 WO 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
WO-1998003519-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed