SCHEMBL6904569

SCHEMBL6904569

CCOc1cc(Nc2ccc(Br)cc2NC(=O)O)ccc1C(=O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.52
MAPK12 P53778 10/20 0.52
MAPK11 Q15759 10/20 0.52
MAPK14 Q16539 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 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
SCHEMBL6817802 0.91 MAPK1 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6817801 0.91 MAPK1 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6821145 0.91 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6911630 0.90 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6396132 0.87 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6395887 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7195744 0.84 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6904625 0.83 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6907054 0.83 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6817201 0.82 CYP2C19 (0.46) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed