SCHEMBL28255751

SCHEMBL28255751

O=P(O)(O)OP(=O)(O)ON(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 2/20 0.41
BTN3A1 O00481 1/20 0.38
TSHR P16473 1/20 0.37
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PDE3A Q14432 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
FDPS P14324 1/20 0.33
BLM P54132 1/20 0.33
CYP2C9 P11712 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
SCHEMBL15109840 0.85 MEN1 (0.42) MEN1HTTKMT2ASRCBTN3A1
SCHEMBL21176803 0.84 MEN1 (0.48) MEN1HTTKMT2ASRCTSHR
SCHEMBL1298272 0.76 MEN1 (0.39) MEN1HTTKMT2ASRCBTN3A1
SCHEMBL1839099 0.76 BTN3A1 (0.36) MEN1HTTKMT2ASRCBTN3A1
Aniline SCHEMBL9347211 0.76 TSHR (0.41) MEN1HTTKMT2ASRCTSHR
Pyrophosphoric Acid SCHEMBL31236964 0.75 SRC (0.46) MEN1HTTKMT2ASRCTSHR
SCHEMBL31297134 0.74 CA2 (0.46) MEN1HTTKMT2ASRCTSHR
Pyrophosphoric Acid SCHEMBL15109839 0.74 SRC (0.45) MEN1HTTKMT2ASRCTSHR
Pyrophosphoric Acid SCHEMBL28134259 0.72 MEN1 (0.50) MEN1HTTKMT2ASRCTSHR
SCHEMBL15110086 0.72 TSHR (0.44) SRCBTN3A1TSHRCA2CA4

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
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 CN disclosed