SCHEMBL9626683

SCHEMBL9626683

Nc1cc(N)c(OP(=O)(O)O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 12/20 0.52
INPP5A Q14642 6/20 0.52
INPP5B P32019 2/20 0.52
AKT1 P31749 1/20 0.42
SRC P12931 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 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
SCHEMBL9627554 0.92 INPPL1 (0.52) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL6679863 0.85 INPPL1 (0.36) INPPL1INPP5AINPP5B
SCHEMBL8389196 0.78 INPPL1 (0.67) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL9627683 0.78 INPPL1 (0.36) INPPL1INPP5AINPP5B
Pyrophosphoric Acid SCHEMBL6679860 0.77 BLM (0.46) INPPL1INPP5AINPP5BALDH1A1KDM4E
Phosphoric Acid SCHEMBL6679867 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10USP2HPGD
Phosphoric Acid SCHEMBL9626680 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL8385812 0.74 INPPL1 (0.50) INPPL1INPP5AINPP5BAKT1SRC
Pyrophosphoric Acid SCHEMBL9627674 0.74 BLM (0.48) INPPL1INPP5AINPP5BALDH1A1KDM4E
Phosphoric Acid SCHEMBL9627690 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10USP2HPGD

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
JP-3002149-A None JP disclosed
US-5138020-A PHOSPHATE SALTS OF MONOMERS FOR PBZ AND THEIR USE IN PREPARING PBZ POLYMERS THE DOW CHEMICAL COMPANY (US) 1992-08-11 US disclosed
JP-H032149-A PHOSPHATE SALT OF MONOMER FOR PBZ POLYMER DOW CHEM CO:THE 1991-01-08 JP disclosed
EP-0393559-A2 Phosphate salts of monomers for PBZ and their use in preparing PBZ polymers THE DOW CHEMICAL COMPANY (US) 1990-10-24 EP disclosed