SCHEMBL13839585

SCHEMBL13839585

O=C1c2c(cccc2OP(Oc2ccc3ccccc3c2)Oc2ccc3ccccc3c2)Cc2cccc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CA1 P00915 1/20 0.36

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
SCHEMBL13839592 0.84 MEN1 (0.42) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839608 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL13839584 0.82 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839627 0.80 GAA (0.36) TDP1ALDH1A1CYP3A4TSHRALOX5
SCHEMBL13839587 0.77 MEN1 (0.41) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839572 0.77 KMT2A (0.41) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839595 0.77 KMT2A (0.38) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13841239 0.75 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839574 0.75 ANPEP (0.41) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL13839589 0.75 ALDH1A1 (0.36) MEN1KMT2AL3MBTL1TDP1ALDH1A1

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-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 — — US disclosed
US-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 — — US disclosed
US-7253298-B2 Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-08-07 — — US disclosed
US-7253298-B2 Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-08-07 — — US disclosed
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