SCHEMBL6258415

SCHEMBL6258415

CN(CCC(=O)c1ccc(NC(P(=O)(O)O)P(=O)(O)O)nc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.49
FDFT1 P37268 2/20 0.42
KMT2A Q03164 2/20 0.39
HCAR3 P49019 4/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
NFKB1 P19838 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
SCHEMBL6242301 0.88 KMT2A (0.38) FDPSKMT2AHCAR3HCAR2PPARG
SCHEMBL6244718 0.83 FDPS (0.53) FDPSFDFT1KMT2APPARGPPARA
SCHEMBL6239582 0.80 FDPS (0.50) FDPSFDFT1KMT2APPARGPPARA
SCHEMBL19642981 0.70 PPARG (0.49) KMT2APPARGPPARALMNACYP2D6
SCHEMBL6244360 0.69 PPARG (0.36) FDPSKMT2APPARGPPARAMEN1
SCHEMBL5156538 0.69 FDPS (1.00) FDPSFDFT1LMNA
SCHEMBL6243007 0.68 MAPT (0.45) KMT2APPARGPPARAMEN1GMNN
SCHEMBL6241825 0.67 PPARG (0.40) FDPSFDFT1PPARGPPARAMAPT
SCHEMBL4782822 0.67 CYP2D6 (0.47) KMT2APPARGPPARALMNACYP2D6
SCHEMBL19468562 0.66 FDPS (0.51) FDPSKMT2APPARGPPARACYP2D6

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 1 patent. 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