SCHEMBL8734962

SCHEMBL8734962

CC1(Nc2ccc(Cl)c(Cl)c2C(N)=O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 7/20 0.44
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL8734965 0.83 CCR6 (0.41) CCR6CXCR2CXCR1SMN1; SMN2KDM4E
SCHEMBL8735092 0.79 CCR6 (0.40) CCR6L3MBTL1OPRM1OPRD1
SCHEMBL8732644 0.77 HPGD (0.48) CCR6SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL12676715 0.68 CCR6 (0.40) CCR6HDAC3HDAC1HDAC2HDAC6
SCHEMBL8735208 0.68 CDC7 (0.38) CCR6CDC7PLK4DYRK3JAK2
SCHEMBL1398085 0.67 KMT2A (0.38) CDC7PLK4DYRK3JAK2ROCK2
SCHEMBL8730869 0.67 CDC7 (0.37) CCR6CDC7PLK4DYRK3JAK2
SCHEMBL8735080 0.67 CDC7 (0.37) CCR6CDC7PLK4DYRK3JAK2
SCHEMBL8735266 0.66 SLC6A9 (0.44) ALDH1A1L3MBTL1
SCHEMBL8857062 0.65 ALDH1A1 (0.50) CDC7PLK4DYRK3JAK2ROCK2

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed