SCHEMBL13531849

SCHEMBL13531849

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.49
▸ KMT2A Q03164 12/20 0.49
▸ MAPT P10636 8/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ APEX1 P27695 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MYC P01106 1/20 0.43
▸ MAX P61244 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL13531851 0.89 MEN1 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL14220347 0.89 MAPT (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10623015 0.88 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10623018 0.88 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036075 0.88 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13531850 0.87 MAPT (0.40) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11881513 0.82 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11881517 0.82 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL14220089 0.82 MEN1 (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13646350 0.80 APEX1 (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1

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
US-8304165-B2 Negative working, heat-sensitive lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-11-06 — — US disclosed
US-20100021845-A1 NEGATIVE WORKING, HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR ECO3 BV (BE) 2010-01-28 — — US disclosed
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