SCHEMBL8154099

SCHEMBL8154099

CC(C)(C)ON=O.O=[N+]([O-])c1ccc(Sc2ccccc2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE7A Q13946 6/20 0.38
PDE7B Q9NP56 3/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
USP47 Q96K76 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL7807741 0.91 PDE7A (0.38) MAPTMEN1KMT2AGAATDP1
SCHEMBL3772645 0.84 PDE7A (0.49) MAPTMEN1KMT2AGAATDP1
SCHEMBL6351555 0.75 PDE7A (0.48) MAPTMEN1KMT2APDE7APDE7B
SCHEMBL8154102 0.71 ABCB1 (0.32)
SCHEMBL6565670 0.70 HSD17B10 (0.52) MAPTMEN1KMT2AGAATDP1
SCHEMBL2904377 0.70 ALDH1A1 (0.56) MAPTMEN1KMT2ATDP1PDE7A
SCHEMBL20476508 0.68 CYP19A1 (0.43) MAPTMEN1KMT2ATDP1PDE7A
SCHEMBL2419394 0.68 PDE7A (0.56) MAPTMEN1KMT2ATDP1PDE7A
SCHEMBL13401628 0.68 GPR35 (0.51) MAPTMEN1KMT2AGAATDP1
SCHEMBL10786431 0.68 PDE7A (0.74) MAPTMEN1KMT2ATDP1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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