SCHEMBL6173153

SCHEMBL6173153

CC(c1ccnc(NS(=O)(=O)Nc2ccccc2)c1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
IDH1 O75874 1/20 0.37
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
LIPE Q05469 4/20 0.33
PLK1 P53350 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
GSK3B P49841 1/20 0.32
PDE2A O00408 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL6175979 0.90 LMNA (0.37) LMNALIPEPLK1PDE2AGPR139
SCHEMBL6176133 0.89 LMNA (0.41) LMNAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6175038 0.89 LMNA (0.38) LMNAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6169400 0.88 LMNA (0.38) LMNALIPEPDE2AGPR139ABL1
SCHEMBL6173184 0.86 LMNA (0.36) LMNALIPEPLK1PDE2AGPR139
SCHEMBL6173730 0.85 IDH1 (0.42) LMNAIDH1MAPK1
SCHEMBL6172084 0.84 LMNA (0.40) LMNAIDH1ATP1A1ATP1B1ATP1A3
SCHEMBL6171770 0.82 LMNA (0.43) LMNAATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL6177220 0.82 LMNA (0.40) LMNALIPEPDE2A
SCHEMBL6175179 0.81 ABL1 (0.44) LMNASMN1; SMN2TP53PDE2AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed