SCHEMBL14844486

SCHEMBL14844486

COc1c(-c2c(C)cc(C(F)(F)F)[nH]c2=O)cnn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BCAT1 P54687 4/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BCAT2 O15382 3/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL14844553 0.83 KDM4E (0.33) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL14844997 0.72 ALDH1A1 (0.33) ALDH1A1HPGDLRRK2PRMT5WDR77
SCHEMBL16716788 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHPGDLRRK2
SCHEMBL16716787 0.68 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2
SCHEMBL16716785 0.67 ALDH1A1 (0.37) ALDH1A1HPGDLRRK2
SCHEMBL14844488 0.67 RAB9A (0.39) ALDH1A1LMNAMAPTHPGDLRRK2
SCHEMBL16716777 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EHPGD
SCHEMBL14844564 0.65 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL14844550 0.65 ALDH1A1 (0.36) ALDH1A1HPGDLRRK2
SCHEMBL14844339 0.64 ALOX5AP (0.43) ALDH1A1HPGD

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-2763968-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES Syngenta Limited (GB) 2014-08-13 EP disclosed
WO-2013050421-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2013-04-11 WO disclosed