SCHEMBL9627554

SCHEMBL9627554

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

nearest known ligand 0.52

Predicted protein targets (top 17)

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
KDM4E B2RXH2 3/20 0.35
SRC P12931 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
PDE3A Q14432 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9626683 0.92 INPPL1 (0.52) INPPL1INPP5AINPP5BAKT1KDM4E
SCHEMBL9627683 0.85 INPPL1 (0.36) INPPL1INPP5AINPP5B
Pyrophosphoric Acid SCHEMBL9627674 0.79 BLM (0.48) INPPL1INPP5AINPP5BKDM4EALDH1A1
SCHEMBL6679863 0.78 INPPL1 (0.36) INPPL1INPP5AINPP5B
Phosphoric Acid SCHEMBL9627690 0.78 ALDH1A1 (0.42) KDM4EALDH1A1USP2HPGDHSD17B10
Phosphoric Acid SCHEMBL9627549 0.78 ALDH1A1 (0.42) KDM4EALDH1A1USP2HPGDHSD17B10
SCHEMBL8385812 0.74 INPPL1 (0.50) INPPL1INPP5AINPP5BAKT1KDM4E
SCHEMBL8389196 0.73 INPPL1 (0.67) INPPL1INPP5AINPP5BAKT1KDM4E
Pyrophosphoric Acid SCHEMBL6679860 0.72 BLM (0.46) INPPL1INPP5AINPP5BKDM4EALDH1A1
SCHEMBL30433430 0.72 INPPL1 (0.52) INPPL1INPP5AINPP5BAKT1KDM4E

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
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