SCHEMBL9534012

SCHEMBL9534012

NP(=O)(O)c1ccc(-c2cccc3ccccc23)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
TYMP P19971 1/20 0.40
PIM1 P11309 2/20 0.38
PDE10A Q9Y233 1/20 0.38
GSK3B P49841 2/20 0.36
ADK P55263 1/20 0.36
NOS1 P29475 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ACP3 P15309 1/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTK2B Q14289 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL9534290 0.89 KDM4E (0.45) KDM4EALPLGAATYMPPIM1
SCHEMBL9754618 0.80 KDM4E (0.41) KDM4EALPLGAATYMPPDE10A
SCHEMBL9536127 0.73 KDM4E (0.37) KDM4EGAA
SCHEMBL9754384 0.72 KDM4E (0.59) KDM4EALPLGAATYMPPDE10A
SCHEMBL9535021 0.71 GSK3B (0.47) KDM4EALPLGAATYMPPIM1
Phosphoric Acid SCHEMBL29911372 0.71 ACP3 (0.55) KDM4EALPLGAAACP3POLB
Phosphoric Acid SCHEMBL547015 0.71 ACP3 (0.55) KDM4EALPLGAAACP3POLB
SCHEMBL9536983 0.70 KDM4E (0.45) KDM4EALPLGAATYMPPIM1
SCHEMBL9754547 0.70 MCL1 (0.55) KDM4EALPLGAATYMPPIM1
SCHEMBL9538652 0.69 TDP1 (0.54) KDM4EALPLGAATYMPPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed