SCHEMBL6900408

SCHEMBL6900408

CCOc1cc(Nc2ccc(Br)cc2N(C(=O)O)C2CCCC2)ccc1C(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.47
MAPK12 P53778 10/20 0.47
MAPK11 Q15759 10/20 0.47
MAPK14 Q16539 10/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6905033 0.85 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6395887 0.82 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6904569 0.81 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6396132 0.80 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6906583 0.78 AKR1C3 (0.42) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6903356 0.77 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6904590 0.77 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7195744 0.77 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6905074 0.77 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6905073 0.76 MAPK13 (0.55) 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 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