SCHEMBL28246796

SCHEMBL28246796

O=P(Oc1ccccc1)(Oc1ccccc1)Oc1c[nH]nn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
Triphenyl Phosphate SCHEMBL483692 0.77 SRC (0.64) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL18116 0.77 SRC (0.64) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL28761613 0.77 SRC (0.64) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL28557783 0.77 SRC (0.64) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL7746390 0.74 SRC (0.61) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL1924512 0.74 SRC (0.61) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL2530073 0.74 SRC (0.61) SRCL3MBTL1TDP1CYP3A4TSHR
SCHEMBL10015245 0.74 CYP3A4 (0.61) SRCL3MBTL1TDP1CYP3A4TSHR
SCHEMBL131239 0.74 CYP3A4 (0.61) SRCL3MBTL1TDP1CYP3A4TSHR
Triphenyl Phosphate SCHEMBL940487 0.74 SRC (0.61) SRCL3MBTL1TDP1CYP3A4TSHR

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-108676040-A A kind of preparation method and application of 1,2,3- triazoles diphenyl phosphate synanthrin derivative 中国科学院烟台海岸带研究所 2018-10-19 CN claimed
CN-108676040-A A kind of preparation method and application of 1,2,3- triazoles diphenyl phosphate synanthrin derivative 中国科学院烟台海岸带研究所 2018-10-19 CN disclosed
CN-108676040-A A kind of preparation method and application of 1,2,3- triazoles diphenyl phosphate synanthrin derivative 中国科学院烟台海岸带研究所 2018-10-19 CN disclosed