SCHEMBL6817754

SCHEMBL6817754

Cc1cccc(C(=S)c2ccc(Nc3ccc(Br)cc3NC(=O)CCC(=O)O)cc2Cl)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPK14 Q16539 10/20 0.48
MAPK13 O15264 9/20 0.48
MAPK12 P53778 9/20 0.48
MAPK11 Q15759 9/20 0.48
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 1.00 MAPK1 (0.48) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6820904 0.94 MAPK1 (0.52) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6813023 0.91 MAPK1 (0.57) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6820715 0.88 MAPK1 (0.46) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6820873 0.88 MAPK1 (0.46) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6820955 0.87 MAPK1 (0.45) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6820950 0.87 MAPK1 (0.45) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6821228 0.86 MAPK1 (0.46) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6094767 0.85 MAPK14 (0.66) MAPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6094761 0.85 MAPK14 (0.66) MAPK1MAPK14MAPK13MAPK12MAPK11

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 4 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 claimed
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 claimed
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