SCHEMBL9017623

SCHEMBL9017623

CCCc1ccc(Cl)c(C(N)=O)c1NC(C)(C)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 2/20 0.34
CXCR2 P25025 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK2 O43353 1/20 0.33
PRKCI P41743 1/20 0.33
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
CLCN2 P51788 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
INSR P06213 1/20 0.32
CDK1 P06493 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
SCHEMBL8732701 0.74 PRKCI (0.39) SLC6A2SLC6A4SLC6A3RIPK2PRKCI
SCHEMBL8730869 0.72 CDC7 (0.37) CXCR2L3MBTL1RIPK2FLT1FLT4
SCHEMBL8735188 0.72 POLB (0.46) POLB
SCHEMBL23073670 0.71 PRKCI (0.39) SLC6A2SLC6A4SLC6A3L3MBTL1RIPK2
SCHEMBL27989434 0.67 CLCN2 (0.41) SLC6A2SLC6A4SLC6A3CXCR2FLT1
SCHEMBL8732726 0.66 CLCN2 (0.40) L3MBTL1CLCN2CHRM1POLB
SCHEMBL8932346 0.66 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3L3MBTL1RIPK2
SCHEMBL8732692 0.65 SIRT1 (0.36) RIPK2FLT1FLT4KDRCDC7
SCHEMBL21236340 0.65 POLB (0.38) RIPK2FLT1FLT4KDRCLCN2
SCHEMBL8733043 0.64 POLB (0.46) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP claimed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO claimed
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed