SCHEMBL9538404

SCHEMBL9538404

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALPL P05186 1/20 0.39
CTRC Q99895 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAC1 P63000 2/20 0.37
PDCD1 Q15116 1/20 0.36

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
SCHEMBL9534327 0.88 MEN1 (0.40) MEN1KMT2AJAK2JAK3CCNC
SCHEMBL9534859 0.87 MEN1 (0.41) MEN1KMT2AJAK2JAK3CCNC
SCHEMBL9537088 0.85 SLC22A12 (0.44) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL9538570 0.80 ALPL (0.40) MEN1KMT2ACCNCCDK8SLC6A2
SCHEMBL9538972 0.79 ALPL (0.44) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL20719156 0.77 NPC1 (0.43) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL20719844 0.76 ALDH1A1 (0.53) MEN1KMT2AJAK2JAK3CCNC
SCHEMBL9535007 0.76 MEN1 (0.50) MEN1KMT2AJAK2JAK3CCNC
SCHEMBL20719642 0.76 PTGER3 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20719116 0.76 PTGER3 (0.35) MEN1KMT2AMAPTKDM4EALDH1A1

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