SCHEMBL4608552

SCHEMBL4608552

COc1cc(Sc2ccncc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.51
PDE4B Q07343 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE7B Q9NP56 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
TXNRD1 Q16881 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHEK1 O14757 2/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL7571419 0.89 ALDH1A1 (0.55) PDE7AL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL2904377 0.85 ALDH1A1 (0.56) PDE7APDE7BL3MBTL1KMT2AALDH1A1
SCHEMBL310270 0.81 CYP11B1 (0.59) L3MBTL1KMT2AALDH1A1TDP1LMNA
SCHEMBL14993876 0.79 ALDH1A1 (0.53) L3MBTL1ALDH1A1TDP1LMNAPOLB
SCHEMBL11860085 0.78 PDE7A (0.55) PDE7APDE4BPDE4DPDE7BKMT2A
SCHEMBL20727289 0.78 PDE7A (0.55) PDE7APDE4BPDE4DPDE7BKMT2A
SCHEMBL6088806 0.75 MAPT (0.51) PDE7AL3MBTL1KMT2AALDH1A1TDP1
SCHEMBL11730953 0.75 PDE7A (0.51) PDE7APDE4BPDE4DPDE7BKMT2A
SCHEMBL5859807 0.74 PDE7A (0.61) PDE7AL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL5858624 0.74 TDP1 (0.48) PDE7AL3MBTL1ALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-0617010-B1 Therapeutic compounds ASTRAZENECA AB (SE) 2002-01-09 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
US-5900432-A Therapeutic N-(4-benzoyl-2-methyl-phenyl)-3,3,3-trifluoro-2-hydroxy-2-methyl-propanamides ZENECA LIMITED (GB) 1999-05-04 US disclosed
US-5482969-A Certain N(4-benzoyl-2-phenyl)-3- trifluoro-2-hydroxy-propanamide derivatives ZENECA LIMITED (GB) 1996-01-09 US disclosed
EP-0617010-A1 Therapeutic compounds ZENECA LIMITED (GB) 1994-09-28 EP disclosed