SCHEMBL8601953

SCHEMBL8601953

O=C1c2ccccc2C(=O)c2c(OO)c(O)cc(O)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAOA P21397 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 4/20 0.62
HPGD P15428 3/20 0.62
MAPK1 P28482 3/20 0.62
RECQL P46063 3/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
ALOX12 P18054 2/20 0.62
DAPK1 P53355 2/20 0.62
CYP1B1 Q16678 2/20 0.62
HSD17B10 Q99714 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TTR P02766 1/20 0.62
CYP1A1 P04798 1/20 0.62
HSPD1 P10809 1/20 0.62

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
SCHEMBL1405648 0.85 MAPT (0.57) MAPTMEN1KMT2AMAOAALDH1A1
SCHEMBL19461410 0.84 MAPT (0.61) MAPTMEN1KMT2AMAOAALDH1A1
SCHEMBL4249550 0.79 MAPT (0.62) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL33871 0.77 MEN1 (1.00) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL29429206 0.77 MEN1 (1.00) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL29539242 0.77 MEN1 (1.00) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL18840047 0.76 MEN1 (0.96) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL4970376 0.76 MEN1 (0.96) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL15205999 0.76 MEN1 (0.96) MAPTMEN1KMT2AMAOAALDH1A1
Purpurin SCHEMBL9856657 0.76 MEN1 (0.96) MAPTMEN1KMT2AMAOAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 US disclosed
EP-0721447-B1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE UNIV NAPIER (GB) 1998-02-25 EP disclosed
EP-0721447-A1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE NAPIER UNIVERSITY VENTURES LIMITED (GB) 1996-07-17 EP disclosed
WO-1995009149-A1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE NAPIER UNIVERSITY VENTURES LIMITED (GB) 1995-04-06 WO disclosed