SCHEMBL6612918

SCHEMBL6612918

CC(=O)Oc1sccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 3/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TLR9 Q9NR96 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.36
RAF1 P04049 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 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
SCHEMBL27598785 0.82 MAPT (0.42) ALDH1A1MAPTNPC1RAB9AESR2
SCHEMBL6309949 0.78 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL27617444 0.77 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7707955 0.73 NPC1 (0.46) ALDH1A1MAPTNPC1RAB9AESR2
SCHEMBL27997449 0.72 LMNA (0.38) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL10872973 0.72 KDM4E (0.41) ALDH1A1RAB9AHPGDCYP1A2CYP2C9
SCHEMBL27673491 0.72 LMNA (0.42) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL27329527 0.71 PDE7A (0.36) ALDH1A1MAPTNPC1RAB9AESR2
SCHEMBL11459102 0.71 KDM4E (0.38) ALDH1A1MAPTNPC1RAB9AESR2
SCHEMBL6609300 0.71 RAB9A (0.37) ALDH1A1MAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384605-A Novel aminoalcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
EP-1461333-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed