SCHEMBL14220089

SCHEMBL14220089

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 15/20 0.45
▸ KMT2A Q03164 15/20 0.45
▸ MAPT P10636 7/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL14220347 0.90 MAPT (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13531851 0.88 MEN1 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10036075 0.87 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10623015 0.87 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10623018 0.87 MEN1 (0.57) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13531849 0.82 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11881513 0.81 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11881517 0.81 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL14620886 0.79 MEN1 (0.74) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL14220091 0.78 MAPK1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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