SCHEMBL28801246

SCHEMBL28801246

O=C(c1ccc(I)cc1F)c1ccc(I)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.46
MAP2K2 P36507 8/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
GPR27 Q9NS67 1/20 0.42
DGAT1 O75907 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
SCHEMBL2920384 0.84 MAP2K1 (0.57) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL1747938 0.83 DGAT1 (0.60) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL1350827 0.83 MAOB (0.45) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL30547931 0.83 DGAT1 (0.60) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL16156066 0.83 ALDH1A1 (0.52) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL5734786 0.78 MAP2K1 (0.47) MAP2K1MAP2K2GPR27
SCHEMBL21516873 0.78 MAP2K1 (0.52) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL1350856 0.78 HSP90AB1 (0.46) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL1352151 0.78 PTPN1 (0.41) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL30778915 0.78 MAP2K1 (0.47) MAP2K1MAP2K2GPR27

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
CN-102971291-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2013-03-13 CN disclosed