SCHEMBL14220347

SCHEMBL14220347

CCN1/C(=C2\SC(=S)N(CCC(=O)OC)C2=O)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.47
▸ MEN1 O00255 9/20 0.47
▸ KMT2A Q03164 9/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ MMP14 P50281 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ APEX1 P27695 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ PTPN7 P35236 2/20 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
SCHEMBL14220089 0.90 MEN1 (0.45) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13531849 0.89 MEN1 (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL14220091 0.88 MAPK1 (0.40) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10036075 0.85 MEN1 (0.57) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10623018 0.85 MEN1 (0.57) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL10623015 0.85 MEN1 (0.57) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13531851 0.82 MEN1 (0.48) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL11881513 0.80 MEN1 (0.64) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL11881517 0.80 MEN1 (0.64) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL13646350 0.78 APEX1 (0.47) MAPTMEN1KMT2AMAPK1ALDH1A1

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
WO-2008046773-A1 NEGATIVE WORKING, HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-04-24 — — WO disclosed
EP-1914068-A1 Negative working, heat-sensitive lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-04-23 — — EP disclosed
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