SCHEMBL6817151

SCHEMBL6817151

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
MAPK13 O15264 9/20 0.52
MAPK12 P53778 9/20 0.52
MAPK11 Q15759 9/20 0.52
MAPK14 Q16539 9/20 0.52
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6817149 1.00 MAPK1 (0.61) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6813023 0.94 MAPK1 (0.57) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6820904 0.91 MAPK1 (0.52) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6094761 0.90 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6094767 0.90 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6903370 0.89 MAPK14 (0.59) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6813196 0.87 MAPK1 (0.55) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6813206 0.87 MAPK1 (0.55) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7647816 0.86 MAPK13 (0.62) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817261 0.86 MAPK1 (0.54) 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