SCHEMBL3662000

SCHEMBL3662000

CCOc1cnn(C)c(=O)c1-c1nn(-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.36
DGAT1 O75907 3/20 0.34
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
AADAT Q8N5Z0 1/20 0.33
BRAF P15056 1/20 0.33
HPGD P15428 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
ADORA1 P30542 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
TDP2 O95551 1/20 0.33
PDE2A O00408 1/20 0.33
LCK P06239 1/20 0.32
KIT P10721 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
KCNH2 Q12809 1/20 0.32
MET P08581 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
SCHEMBL3061674 0.89 PDE10A (0.38) CTSSSRCKDRAADATBRAF
SCHEMBL3063527 0.82 CTSS (0.36) CTSSSRCKDRAADATBRAF
SCHEMBL3056461 0.78 HTR2A (0.40) SRCKDRAADATBRAFITGA4
SCHEMBL3064875 0.71 SRC (0.35) SRCKDRAADATBRAFNPBWR1
SCHEMBL3057381 0.70 NPBWR1 (0.40) HPGDITGA4ITGB7NPBWR1MCHR1
SCHEMBL3064869 0.68 NPC1 (0.41) ITGB1ITGA4ITGB7ADORA3
SCHEMBL16635022 0.66 NPC1 (0.58) HPGDADORA1ADORA3
SCHEMBL17973836 0.65 CTSS (0.47) CTSSSRCKDRAADATBRAF
SCHEMBL6151773 0.64 NOTUM (0.44) CTSSSRCKDRAADATBRAF
SCHEMBL14973016 0.63 MAPT (0.46) BRAFHPGD

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-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 EP disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 WO disclosed