SCHEMBL13839589

SCHEMBL13839589

O=C1c2c(cccc2OP(Oc2cccnc2)Oc2cccnc2)Cc2cccc(OP(Oc3cccnc3)Oc3cccnc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL13839612 0.84 KCNA3 (0.39) ALDH1A1LMNATDP1USP2ALOX15
SCHEMBL13839592 0.83 MEN1 (0.42) ALDH1A1TDP1USP2ALOX15KMT2A
SCHEMBL13839631 0.80 LMNA (0.37) ALDH1A1LMNATDP1SMN1; SMN2CYP11B1
SCHEMBL13839588 0.75 MEN1 (0.37) ALDH1A1TDP1USP2ALOX15KMT2A
SCHEMBL13839585 0.75 MEN1 (0.37) ALDH1A1LMNATDP1USP2ALOX15
SCHEMBL1449085 0.74 LMNA (0.54) ALDH1A1LMNATDP1CYP3A4SMN1; SMN2
SCHEMBL13839572 0.73 KMT2A (0.41) ALDH1A1TDP1USP2ALOX15KMT2A
SCHEMBL13839587 0.73 MEN1 (0.41) ALDH1A1TDP1USP2ALOX15KMT2A
SCHEMBL13839584 0.72 ALDH1A1 (0.40) ALDH1A1TDP1USP2ALOX15KMT2A
SCHEMBL13839574 0.71 ANPEP (0.41) ALDH1A1LMNATDP1USP2ALOX15

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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