SCHEMBL5823381

SCHEMBL5823381

O=c1n(S(=O)(=O)CC2CCCCC2)nc(-c2ccncc2)n1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
MAPK9 P45984 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 4/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
RAF1 P04049 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 3/20 0.33
RIPK3 Q9Y572 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3B P49841 1/20 0.33
CNR2 P34972 1/20 0.32
PDE5A O76074 1/20 0.32
GAA P10253 1/20 0.32
GCGR P47871 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
SCHEMBL5820709 0.81 MAPT (0.47) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5814608 0.78 MAPK9 (0.43) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5806904 0.78 MAPK9 (0.43) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5814956 0.76 MAPK9 (0.42) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5805633 0.74 MAPT (0.53) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5805306 0.70 DRD2 (0.44) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL4961478 0.68 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11RIPK3
Hydrochloric Acid SCHEMBL749696 0.68 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL5819589 0.66 SRC (0.53) MAPK14ALDH1A1
SCHEMBL5804303 0.66 SRC (0.52) MAPK14MAPK13MAPK12MAPK11CNR1

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-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO disclosed