SCHEMBL9501085

SCHEMBL9501085

COCCOCCOCCOCCNCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA6 P23280 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RECQL P46063 3/20 0.46
KDM4E B2RXH2 2/20 0.44
CA2 P00918 4/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA3 P07451 2/20 0.43
ALOX15 P16050 2/20 0.43
CA1 P00915 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL24711870 0.91 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL24727915 0.89 CA2 (0.46) CA12CA6CA7CA9CA14
SCHEMBL30062272 0.88 KDM4E (0.52) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL31555925 0.88 KDM4E (0.52) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL1507545 0.88 KDM4E (0.52) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL3570047 0.88 KDM4E (0.52) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL6686436 0.88 KDM4E (0.52) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL18593493 0.86 KDM4E (0.49) CA12CA6CA7CA9CA14
SCHEMBL44670 0.85 KDM4E (0.55) MEN1KMT2ARECQLKDM4ECA2
SCHEMBL4397414 0.85

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-0320960-B1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-05-12 EP disclosed
US-5145848-A AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1992-09-08 US disclosed
EP-0396588-A1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-11-14 EP disclosed
WO-1989005815-A1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-29 WO disclosed
EP-0320960-A1 Amino anthracenediones-bis platinum complexes, useful as antitumoral agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-06-21 EP disclosed