SCHEMBL13531852

SCHEMBL13531852

CCN1/C(=C2\SC(=S)N(CC(C)=O)C2=O)Oc2ccc(-c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.41
▸ KMT2A Q03164 12/20 0.41
▸ MAPT P10636 9/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ MMP14 P50281 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ DUSP3 P51452 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
SCHEMBL13531850 0.91 MAPT (0.40) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13646350 0.88 APEX1 (0.47) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13531851 0.87 MEN1 (0.48) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL14220091 0.84 MAPK1 (0.40) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL14227335 0.79 MAPK1 (0.36) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13531849 0.77 MEN1 (0.49) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10623018 0.77 MEN1 (0.57) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10036075 0.77 MEN1 (0.57) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10623015 0.77 MEN1 (0.57) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL14220089 0.76 MEN1 (0.45) MEN1KMT2AMAPTTDP1MAPK1

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
Send feedback