SCHEMBL18504769

SCHEMBL18504769

NC(=O)c1cccc(CF)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 8/20 0.33
RPS6KB1 P23443 8/20 0.33
PDPK1 O15530 1/20 0.32
PARP1 P09874 5/20 0.32
AURKB Q96GD4 2/20 0.31
TBXAS1 P24557 1/20 0.31
HDAC3 O15379 1/20 0.31
KDR P35968 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL18504418 0.89 PARP1 (0.36) MEN1KMT2AAURKARPS6KB1PARP1
SCHEMBL18504157 0.89 NR1H4 (0.35)
SCHEMBL18504752 0.88 NR1H4 (0.31)
SCHEMBL18504338 0.88 NR1H4 (0.31)
SCHEMBL18504766 0.87 MEN1 (0.35) MEN1KMT2AAURKARPS6KB1PARP1
SCHEMBL22564506 0.87 MEN1 (0.35) MEN1KMT2AAURKARPS6KB1PDPK1
SCHEMBL18504779 0.86 PDE5A (0.32) HDAC3HDAC1HDAC2HDAC11HDAC8
SCHEMBL18500404 0.86 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL18504774 0.85 KLKB1 (0.37) KMT2AAURKARPS6KB1PDPK1PARP1
SCHEMBL18505004 0.85

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed