SCHEMBL28494979

SCHEMBL28494979

O=P(O)(O)Oc1ccccc1C(c1ccccc1S(=O)(=O)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 5/20 0.39
INPP5A Q14642 4/20 0.39
INPP5B P32019 2/20 0.39
SRC P12931 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKT1 P31749 1/20 0.34

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
SCHEMBL2175835 0.78 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL1593348 0.77 INPPL1 (0.50) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL5574733 0.69 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL29613140 0.69 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL224271 0.69 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL30270559 0.69 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL28712123 0.67 ELANE (0.56) INPPL1INPP5AINPP5BSRCKDM4E
Phosphoric Acid SCHEMBL7921303 0.67 INPPL1 (0.50) INPPL1INPP5AINPP5BSRCKDM4E
Benzene SCHEMBL27478938 0.67 KDM4E (0.53) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL9315209 0.67 INPPL1 (0.50) INPPL1INPP5AINPP5BSRCKDM4E

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-108484680-B Iridium complex with bis-thio aromatic ring/aromatic heterocyclic phosphoric acid compound as auxiliary ligand 马鞍山南京大学高新技术研究院 2020-12-11 CN disclosed