SCHEMBL14220091

SCHEMBL14220091

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 8/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DUSP3 P51452 2/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ PTPN7 P35236 2/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ APBA1 Q02410 2/20 0.38
▸ PTPN22 Q9Y2R2 2/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL13646350 0.91 APEX1 (0.47) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL13531850 0.90 MAPT (0.40) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14220347 0.88 MAPT (0.47) MAPK1ALDH1A1MAPTL3MBTL1RECQL
SCHEMBL14227335 0.87 MAPK1 (0.36) MAPK1ALDH1A1MAPTL3MBTL1RECQL
SCHEMBL13531852 0.84 MEN1 (0.41) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14220089 0.78 MEN1 (0.45) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL13531849 0.77 MEN1 (0.49) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10623018 0.73 MEN1 (0.57) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10623015 0.73 MEN1 (0.57) MAPK1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10036075 0.73 MEN1 (0.57) MAPK1ALDH1A1MAPTL3MBTL1LMNA

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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