SCHEMBL24512460

SCHEMBL24512460

C=P(O)(O)CN(CCO)CP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1954630 0.91 KDM4E (0.34) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL1420967 0.85 KDM4E (0.34) KDM4EMAPTALOX15SMN1; SMN2
Water SCHEMBL9196726 0.83 KDM4E (0.33) KDM4EMAPTALOX15SMN1; SMN2
Water SCHEMBL9196996 0.83 KDM4E (0.33) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL6897447 0.83 KDM4E (0.33) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL4367120 0.82 TYMS (0.31) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL17736087 0.80 MEN1 (0.30)
SCHEMBL9199503 0.77 CYP2C9 (0.41) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL22492 0.77 KDM4E (0.39) PGK1PGK2KDM4EALOX15
SCHEMBL9267917 0.77 TDP1 (0.41)

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
US-20220186105-A1 SUBSTITUTED ALKANOLAMINE SCALE INHIBITOR HALLIBURTON ENERGY SERVICES, INC. 2022-06-16 US disclosed