SCHEMBL5820709

SCHEMBL5820709

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPK8 P45983 2/20 0.45
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK14 Q16539 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RIPK3 Q9Y572 2/20 0.37
MET P08581 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL5805633 0.94 MAPT (0.53) MAPTKMT2APOLBMAPK8MAPK9
SCHEMBL5814608 0.81 MAPK9 (0.43) MAPK8MAPK9MAPK10MAPK14MAPK13
SCHEMBL5806904 0.81 MAPK9 (0.43) MAPK8MAPK9MAPK10MAPK14MAPK13
SCHEMBL5823381 0.81 HTR6 (0.36) MAPK8MAPK9MAPK10ALDH1A1MAPK14
SCHEMBL5814956 0.80 MAPK9 (0.42) MAPK8MAPK9MAPK10MAPK14MAPK13
SCHEMBL5805306 0.80 DRD2 (0.44) KMT2AALDH1A1MAPK14MEN1MAPK13
SCHEMBL4961478 0.76 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11RIPK3
Hydrochloric Acid SCHEMBL749696 0.75 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL5804051 0.74 MAPK14 (0.47) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14387351 0.73 POLB (0.40) MAPTKMT2APOLBMAPK8MAPK9

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