SCHEMBL29008754

SCHEMBL29008754

O=P(O)(O)Oc1c[nH]c2ccc(Br)c(Cl)c12.[KH]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
INPPL1 O15357 8/20 0.36
INPP5A Q14642 5/20 0.36
AKT1 P31749 1/20 0.36
INPP5B P32019 2/20 0.35
NR4A2 P43354 1/20 0.32
SRC P12931 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PDE3A Q14432 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23488 0.98 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
SCHEMBL29356973 0.98 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
Ammonia Solution, Strong SCHEMBL20492883 0.97 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
SCHEMBL17668115 0.97 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
SCHEMBL31324009 0.97 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
SCHEMBL5058499 0.97 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
Phosphoric Acid SCHEMBL8156858 0.97 HTR2A (0.40) HTR2AHTR1AHTR2CHTR2BINPPL1
Inositol SCHEMBL2831131 0.93 HTR2A (0.38) HTR2AHTR1AHTR2CHTR2BINPPL1
SCHEMBL17668116 0.92 HTR2A (0.37) HTR2AHTR1AHTR2CHTR2BINPPL1
Phosphoric Acid SCHEMBL8156857 0.88 HTR2A (0.32) HTR2AHTR1AHTR2CHTR2BNR4A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133551-B Pyrimidine polyether and preparation method and application thereof 万华化学集团股份有限公司 2023-05-30 CN claimed
CN-114133551-A Pyrimidyl polyether and preparation method and application thereof 万华化学集团股份有限公司 2022-03-04 CN claimed
CN-114133551-B Pyrimidine polyether and preparation method and application thereof 万华化学集团股份有限公司 2023-05-30 CN disclosed
CN-114133551-A Pyrimidyl polyether and preparation method and application thereof 万华化学集团股份有限公司 2022-03-04 CN disclosed