SCHEMBL9534377

SCHEMBL9534377

CCOC(=O)C(O)c1ccc(-c2ccc3ccccc3c2)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALPL P05186 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 1/20 0.40
CTRC Q99895 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9534841 0.88 MEN1 (0.41) MEN1KMT2AALPLJAK2JAK3
SCHEMBL20719656 0.87 MEN1 (0.41) MEN1KMT2AALPLJAK2JAK3
SCHEMBL9535376 0.86 ALPL (0.43) ALPLCTRCSLC6A2SLC6A4SLC6A3
SCHEMBL9536294 0.81 CD274 (0.42) KMT2ACDC25BKDM4EL3MBTL1PDCD1LG2
SCHEMBL9534853 0.81 PPARG (0.40) MEN1KMT2AALPLCDC25ACDC25B
SCHEMBL20719062 0.80 SLC6A2 (0.39) MEN1KMT2AALPLJAK2JAK3
SCHEMBL9537527 0.80 CD274 (0.47) KDM4EALDH1A1HPGDPDCD1LG2CD274
SCHEMBL20719844 0.78 ALDH1A1 (0.53) MEN1KMT2AALPLJAK2JAK3
SCHEMBL9535007 0.78 MEN1 (0.50) MEN1KMT2AALPLJAK2JAK3
SCHEMBL9533905 0.78 ALPL (0.43) ALPLCTRCSLC6A2SLC6A4SLC6A3

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