SCHEMBL6232920

SCHEMBL6232920

Cc1ccccc1Nc1cc(F)ccc1C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
HDAC7 Q8WUI4 1/20 0.44
HTT P42858 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
CLCN2 P51788 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
ESR1 P03372 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
FTO Q9C0B1 2/20 0.40

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
SCHEMBL6228943 0.88 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14HDAC7
SCHEMBL5388933 0.83 MAPT (0.51) MAPK13MAPK12MAPK11MAPK14CLCN2
SCHEMBL5390982 0.82 MAP2K1 (0.50) MAPK13MAPK12MAPK11MAPK14CLCN2
SCHEMBL6948734 0.80 MAPT (0.43) MAPK13MAPK12MAPK11MAPK14HDAC7
SCHEMBL6944337 0.78 CLCN2 (0.38) MAPK13MAPK12MAPK11MAPK14HDAC7
SCHEMBL28869660 0.76 HDAC1 (0.53) MAPK14HDAC7MEN1KMT2AHDAC1
SCHEMBL21870353 0.74 HTT (0.56) HTTKDM4CLMNAHDAC1ALDH1A1
SCHEMBL5391631 0.73 MAP2K1 (0.53)
SCHEMBL9736935 0.73 PTGS2 (0.71) HDAC7HTTMEN1KMT2ATSHR
SCHEMBL5396108 0.72 MAP2K1 (0.41) MEN1KMT2AALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP disclosed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 EP disclosed