SCHEMBL6820904

SCHEMBL6820904

Cc1c(Cl)cccc1C(=S)c1ccc(Nc2ccc(Br)cc2NC(=O)CCC(=O)O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.47
MAPK13 O15264 6/20 0.44
MAPK12 P53778 6/20 0.44
MAPK11 Q15759 6/20 0.44
MAPK14 Q16539 6/20 0.44
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6817758 0.94 MAPK1 (0.48) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6817754 0.94 MAPK1 (0.48) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6817151 0.91 MAPK1 (0.61) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6817149 0.91 MAPK1 (0.61) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6820715 0.87 MAPK1 (0.46) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6820873 0.86 MAPK1 (0.46) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6820950 0.86 MAPK1 (0.45) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6820955 0.86 MAPK1 (0.45) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6821228 0.85 MAPK1 (0.46) MAPK1KDM4EMAPK13MAPK12MAPK11
SCHEMBL6813023 0.85 MAPK1 (0.57) MAPK1KDM4EMAPK13MAPK12MAPK11

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