SCHEMBL9536294

SCHEMBL9536294

CCOC(=O)C(O)c1ccc(-c2cc3ccccc3c3ccccc23)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.42
PDCD1LG2 Q9BQ51 12/20 0.42
PDCD1 Q15116 3/20 0.37
CDC25B P30305 1/20 0.36
BTK Q06187 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9537527 0.88 CD274 (0.47) CD274PDCD1LG2PDCD1KDM4E
SCHEMBL9535997 0.86 CD274 (0.39) CD274PDCD1LG2PDCD1BTKL3MBTL1
SCHEMBL9534377 0.81 MEN1 (0.42) CD274PDCD1LG2CDC25BKDM4EKMT2A
SCHEMBL9538604 0.79 CD274 (0.45) CD274PDCD1LG2PDCD1CDC25BBTK
SCHEMBL9537485 0.76 CD274 (0.47) CD274PDCD1LG2PDCD1KDM4E
SCHEMBL9536629 0.74 APAF1 (0.40) CDC25BKDM4EKMT2A
SCHEMBL9536049 0.73 KDM4E (0.49) CD274PDCD1LG2PDCD1KDM4EKMT2A
SCHEMBL9533890 0.72 CD274 (0.46) CD274PDCD1LG2PDCD1CDC25BBTK
SCHEMBL10412730 0.70 ALDH1A1 (0.51) CDC25BKDM4EKMT2A
SCHEMBL27572668 0.70 ALDH1A1 (0.44) CDC25BCYP1A2KDM4EMAPK1KMT2A

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