SCHEMBL39927

SCHEMBL39927

O=CCc1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
MAPT P10636 15/20 0.48
ALDH1A1 P00352 9/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.47
CYP2C9 P11712 4/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL40022 0.85 HPGD (0.50) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL46697 0.84 HPGD (0.60) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL39825 0.83 HPGD (0.52) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL39894 0.80 HPGD (0.49) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL40548 0.80 KDM5A (0.49) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL46764 0.79 MET (0.46) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL39747 0.77 SIRT6 (0.49) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL2733401 0.76 MAPT (0.46) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL39725 0.76 HPGD (0.52) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL39890 0.75 HPGD (0.52) HPGDMAPTALDH1A1CYP1A2CYP2C19

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed