SCHEMBL6239582

SCHEMBL6239582

CN(CCOc1ccc(NC(P(=O)(O)O)P(=O)(O)O)nc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.50
KMT2A Q03164 3/20 0.48
PPARG P37231 7/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GMNN O75496 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRB3 P13945 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL6243007 0.87 MAPT (0.45) KMT2APPARGMAPTALDH1A1KDM4E
SCHEMBL6244718 0.84 FDPS (0.53) FDPSKMT2APPARGCYP2C19CYP2D6
SCHEMBL6258415 0.80 FDPS (0.49) FDPSKMT2APPARGMAPTMEN1
SCHEMBL5668267 0.75 KMT2A (0.53) KMT2APPARGMAPTALDH1A1KDM4E
SCHEMBL20377227 0.74 FDPS (0.51) FDPSPPARGTSHRPPARAFDFT1
SCHEMBL7784532 0.73 FDPS (0.52) FDPSKMT2AMEN1CYP2C19LMNA
SCHEMBL6244360 0.72 PPARG (0.36) FDPSKMT2APPARGMAPTALDH1A1
SCHEMBL7793628 0.71 FDPS (0.60) FDPSALDH1A1LMNAFDFT1
SCHEMBL6242301 0.71 KMT2A (0.38) FDPSKMT2APPARGMAPTALDH1A1
SCHEMBL7920967 0.70 KMT2A (0.60) KMT2APPARGMAPTALDH1A1KDM4E

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
WO-2005028488-A1 HETEROARYL PHOSPHINYL AND THIOPHOSPHINYL COMPOUNDS FOR REGULATION OF GLUCOSE, TRIGLYCERIDES, AND LDL/HDL LEVELS QUATRX PHARMACEUTICALS CO. (US) 2005-03-31 WO claimed
WO-2005028488-A1 HETEROARYL PHOSPHINYL AND THIOPHOSPHINYL COMPOUNDS FOR REGULATION OF GLUCOSE, TRIGLYCERIDES, AND LDL/HDL LEVELS QUATRX PHARMACEUTICALS CO. (US) 2005-03-31 WO disclosed