SCHEMBL6816770

SCHEMBL6816770

CCCCc1ccc(C(=S)c2ccc(Nc3ccc(Br)cc3NC(=O)CCC(=O)O)cc2Cl)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
POLB P06746 4/20 0.41
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL6820949 0.92 MAPK1 (0.48) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6820954 0.92 MAPK1 (0.48) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6820873 0.87 MAPK1 (0.46) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6820715 0.86 MAPK1 (0.46) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6821228 0.86 MAPK1 (0.46) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6817328 0.85 MAPT (0.44) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6816778 0.84 MAPK1 (0.47) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6820955 0.83 MAPK1 (0.45) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6820950 0.83 MAPK1 (0.45) MAPK1POLBMAPK13MAPK12MAPK11
SCHEMBL6817758 0.82 MAPK1 (0.48) MAPK1MAPK13MAPK12MAPK11MAPK14

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
EP-1210320-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
US-6566554-B1 Including amino benzothiophenones; useful for treatment of inflammatory diseases in which the production of cytokines is involved in the pathogenesis LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2003-05-20 US disclosed