SCHEMBL6562681

SCHEMBL6562681

CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE7A Q13946 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
HDAC1 Q13547 1/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 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
SCHEMBL10129547 0.84 GAA (0.48) GAAALDH1A1HTTATMTDP1
SCHEMBL3615057 0.83 ALDH1A1 (0.47) GAAALDH1A1HTTTDP1MAPT
SCHEMBL10129571 0.82 GAA (0.46) GAAALDH1A1HTTATMTDP1
SCHEMBL30002032 0.80 ALDH1A1 (0.47) GAAALDH1A1HTTMAPTNPSR1
SCHEMBL27795562 0.80 ALDH1A1 (0.47) GAAALDH1A1HTTMAPTNPSR1
SCHEMBL601548 0.78 KMT2A (0.50) GAAALDH1A1HTTTDP1MAPT
SCHEMBL30625900 0.78 KMT2A (0.50) GAAALDH1A1HTTTDP1MAPT
SCHEMBL13317848 0.76 TDP1 (0.41) GAAALDH1A1HTTATMTDP1
SCHEMBL2333062 0.75 HTT (0.61) GAAALDH1A1HTTATMTDP1
SCHEMBL1071311 0.73 KMT2A (0.43) GAAALDH1A1HTTATMTDP1

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
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 WO disclosed