SCHEMBL6401565

SCHEMBL6401565

CCOc1ccc(C(=O)c2ccc(Nc3ccc(Br)cc3NC(=O)OC3CCCC3)cc2Cl)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.50
MAPK12 P53778 9/20 0.50
MAPK11 Q15759 9/20 0.50
MAPK14 Q16539 9/20 0.50
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
PPARG P37231 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL2198762 0.91 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6394489 0.88 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6400902 0.88 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6396062 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6398542 0.86 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6400247 0.85 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6395887 0.85 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6821134 0.84 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1901468 0.83 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6906823 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT

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
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed