SCHEMBL3420846

SCHEMBL3420846

Cc1cc(C(O)(c2ccccc2)C(F)(F)F)cc(C)c1NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
PDK1 Q15118 4/20 0.41
PDK2 Q15119 4/20 0.41
PDK3 Q15120 4/20 0.41
PDK4 Q16654 4/20 0.41
GAA P10253 1/20 0.40
ABCC9 O60706 3/20 0.39
ABCC8 Q09428 3/20 0.39
KCNJ11 Q14654 3/20 0.39
KCNJ8 Q15842 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NR1I2 O75469 1/20 0.37
LMNA P02545 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1813928 0.81 PTGS1 (0.51) GAAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3420100 0.78 HSD11B1 (0.40) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL3431607 0.78 SMN1; SMN2 (0.46) NR1H2KCNJ11MEN1KMT2ARAB9A
SCHEMBL1810895 0.77 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL1813640 0.77 NR1H2 (0.43) NR1H2GAAMEN1KMT2AHTT
SCHEMBL3465464 0.76 KCNK3 (0.56) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL5865852 0.75 TSHR (0.52) NR1H2MAPTNR1I2LMNANPSR1
SCHEMBL1812412 0.75 NR1H2 (0.43) NR1H2PDK1PDK2PDK3PDK4
SCHEMBL1812445 0.74 TDP1 (0.44) NR1H2PDK1PDK2PDK3PDK4
SCHEMBL16799985 0.73 SMN1; SMN2 (0.66) NR1H2PDK1PDK2PDK3PDK4

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
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed