SCHEMBL9534290

SCHEMBL9534290

O=c1[nH]c(-c2cccc3ccccc23)ccc1P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALPL P05186 1/20 0.45
GAA P10253 1/20 0.45
TYMP P19971 1/20 0.41
PIM1 P11309 2/20 0.39
PDE10A Q9Y233 1/20 0.39
GSK3B P49841 2/20 0.38
ADK P55263 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ACP3 P15309 1/20 0.37
POLB P06746 1/20 0.37
PTK2B Q14289 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTPN1 P18031 1/20 0.36
MCL1 Q07820 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
SCHEMBL9534012 0.89 KDM4E (0.43) KDM4EALPLGAATYMPPIM1
SCHEMBL9536127 0.84 KDM4E (0.37) KDM4EGAAPTPN1
SCHEMBL9754618 0.82 KDM4E (0.41) KDM4EALPLGAATYMPPDE10A
SCHEMBL9754384 0.75 KDM4E (0.59) KDM4EALPLGAATYMPPDE10A
SCHEMBL27902996 0.74 ACP3 (0.46) KDM4EALPLGAAACP3POLB
SCHEMBL9535021 0.73 GSK3B (0.47) KDM4EALPLGAATYMPPIM1
SCHEMBL9533551 0.73 PTGER3 (0.50) PIM1
SCHEMBL299963 0.73 DNMT1 (0.43) KDM4EALPLGAATYMPGSK3B
Phosphoric Acid SCHEMBL547015 0.73 ACP3 (0.55) KDM4EALPLGAAACP3POLB
Phosphoric Acid SCHEMBL29911372 0.73 ACP3 (0.55) KDM4EALPLGAAACP3POLB

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