SCHEMBL13839588

SCHEMBL13839588

O=C1c2c(cccc2OP(Oc2ccccn2)Oc2ccccn2)Cc2cccc(OP(Oc3ccccn3)Oc3ccccn3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL13839611 0.83 KCNA3 (0.40) MEN1ALDH1A1MAPTALOX15TSHR
SCHEMBL13839630 0.81 KDM4E (0.37) KDM4EFFAR4MAOA
SCHEMBL13839592 0.79 MEN1 (0.42) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839572 0.77 KMT2A (0.41) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839587 0.77 MEN1 (0.41) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839584 0.76 ALDH1A1 (0.40) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839574 0.75 ANPEP (0.41) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13841239 0.75 ALDH1A1 (0.40) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839589 0.75 ALDH1A1 (0.36) MEN1USP2ALDH1A1HPNCYP3A4
SCHEMBL13839595 0.74 KMT2A (0.38) MEN1USP2ALDH1A1HPNCYP3A4

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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