SCHEMBL9537527

SCHEMBL9537527

CCOC(=O)C(O)c1ccc(-c2cccc3ccccc23)nc1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.47
PDCD1LG2 Q9BQ51 15/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PDCD1 Q15116 3/20 0.42

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
SCHEMBL9537485 0.89 CD274 (0.47) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL9536294 0.88 CD274 (0.42) CD274PDCD1LG2KDM4EPDCD1
SCHEMBL9536049 0.86 KDM4E (0.49) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL9534377 0.80 MEN1 (0.42) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL9537762 0.79 KDM4E (0.49) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL9533834 0.78 ALDH1A1 (0.52) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL10412730 0.76 ALDH1A1 (0.51) ALDH1A1HPGDKDM4E
SCHEMBL9535997 0.73 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL27473924 0.70 MAPT (0.47) CD274PDCD1LG2ALDH1A1HPGDKDM4E
SCHEMBL9534841 0.70 MEN1 (0.41) CD274PDCD1LG2ALDH1A1HPGDKDM4E

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