Purpurin

Purpurin

SCHEMBL11811844

O=C1c2cccc(O)c2C(=O)c2cccc(O)c21.O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21

nearest known ligand 0.83

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.83
▸ KMT2A Q03164 8/20 0.83
▸ MAOA P21397 7/20 0.83
▸ MAPT P10636 7/20 0.83
▸ ALDH1A1 P00352 6/20 0.83
▸ HPGD P15428 6/20 0.83
▸ TDP1 Q9NUW8 6/20 0.83
▸ MAPK1 P28482 5/20 0.83
▸ ALOX15 P16050 5/20 0.83
▸ HSD17B10 Q99714 5/20 0.83
▸ KDM4E B2RXH2 5/20 0.83
▸ CYP3A4 P08684 5/20 0.83
▸ RECQL P46063 5/20 0.83
▸ MAOB P27338 3/20 0.83
▸ ALOX12 P18054 3/20 0.83
▸ BRCA1 P38398 3/20 0.83
▸ TTR P02766 3/20 0.83
▸ DAPK1 P53355 2/20 0.83
▸ CYP1B1 Q16678 2/20 0.83
▸ CYP1A1 P04798 1/20 0.83

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 0.91 MEN1 (1.00) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL29539242 0.91 MEN1 (1.00) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL29429206 0.91 MEN1 (1.00) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL9856657 0.89 MEN1 (0.96) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL10574533 0.89 MEN1 (0.96) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL18840047 0.89 MEN1 (0.96) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL4970376 0.89 MEN1 (0.96) MEN1KMT2AMAOAMAPTALDH1A1
Purpurin SCHEMBL15205999 0.89 MEN1 (0.96) MEN1KMT2AMAOAMAPTALDH1A1
Quinalizarin SCHEMBL5709519 0.87 MAPT (0.77) MEN1KMT2AMAOAMAPTALDH1A1
SCHEMBL24740536 0.85 MAOA (0.60) MEN1KMT2AMAOAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3952059-A Alkyl ammonium thiocyanate manufacture and lube containing same TEXACO INC. (US) 1976-04-20 — — US disclosed
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