Purpurin

Purpurin

SCHEMBL9856657

O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21.[Zn]

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.96
KMT2A Q03164 4/20 0.96
MAPT P10636 3/20 0.96
MAOA P21397 3/20 0.96
HPGD P15428 3/20 0.96
KDM4E B2RXH2 2/20 0.96
ALDH1A1 P00352 2/20 0.96
CYP3A4 P08684 2/20 0.96
ALOX15 P16050 2/20 0.96
ALOX12 P18054 2/20 0.96
MAPK1 P28482 2/20 0.96
RECQL P46063 2/20 0.96
DAPK1 P53355 2/20 0.96
CYP1B1 Q16678 2/20 0.96
HSD17B10 Q99714 2/20 0.96
TDP1 Q9NUW8 2/20 0.96
BRCA1 P38398 2/20 0.96
TTR P02766 1/20 0.96
CYP1A1 P04798 1/20 0.96
HSPD1 P10809 1/20 0.96

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
Purpurin SCHEMBL33871 0.98 MEN1 (1.00) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL29429206 0.98 MEN1 (1.00) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL29539242 0.98 MEN1 (1.00) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL4970376 0.96 MEN1 (0.96) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL18840047 0.96 MEN1 (0.96) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL10574533 0.96 MEN1 (0.96) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL15205999 0.96 MEN1 (0.96) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL2808530 0.91 MAPT (0.86) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL10571410 0.89 MEN1 (0.83) MEN1KMT2AMAPTMAOAHPGD
Purpurin SCHEMBL11811844 0.89 MEN1 (0.83) MEN1KMT2AMAPTMAOAHPGD

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-5051415-A Indicators used for medical diagnosis of tumors by fluorescence THE UNIVERSITY OF TOLEDO (US) 1991-09-24 US disclosed
EP-0256036-A4 PRODUCTION AND USE OF PURPURINS, CHLORINS AND PURPURIN- AND CHLORIN-CONTAINING COMPOSITIONS. UNIV TOLEDO (US) 1989-11-30 EP disclosed
US-4877872-A DETECTING AND TREATING TUMORS THE UNIVERSITY OF TOLEDO (US) 1989-10-31 US disclosed
EP-0256036-A1 PRODUCTION AND USE OF PURPURINS, CHLORINS AND PURPURIN- AND CHLORIN-CONTAINING COMPOSITIONS. UNIV TOLEDO (US) 1988-02-24 EP disclosed
WO-1987004071-A1 PRODUCTION AND USE OF PURPURINS, CHLORINS AND PURPURIN- AND CHLORIN-CONTAINING COMPOSITIONS THE UNIVERSITY OF TOLEDO (US) 1987-07-16 WO disclosed