SCHEMBL13839584

SCHEMBL13839584

O=C1c2c(cccc2OP(Oc2cccc3ccccc23)Oc2cccc3ccccc23)Cc2cccc(OP(Oc3cccc4ccccc34)Oc3cccc4ccccc34)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPN P05981 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL13839607 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13839592 0.82 MEN1 (0.42) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13839585 0.82 MEN1 (0.37) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13839587 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13839572 0.81 KMT2A (0.41) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL31556331 0.79 HTR1B (0.48) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL1449787 0.79 HTR1B (0.48) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL13839574 0.78 ANPEP (0.41) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13841239 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL13839626 0.78 HTR1B (0.35) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1

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
Send feedback