SCHEMBL8818366

SCHEMBL8818366

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1Cn1cccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.37
KAT7 O95251 2/20 0.35
KAT6A Q92794 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MLYCD O95822 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTT P42858 1/20 0.33
KAT6B Q8WYB5 1/20 0.33

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
SCHEMBL8815432 0.89 HCRTR2 (0.36) KAT7KAT6APOLBMEN1KMT2A
SCHEMBL8817211 0.88 PDE4D (0.35) PTGDR2LMNAPOLBMLYCDENPP2
SCHEMBL8815435 0.87 HCRTR2 (0.39) KAT7KAT6ALMNAMAPTHCRTR2
SCHEMBL8815421 0.86 MEN1 (0.39) KAT7KAT6ALMNAMEN1KMT2A
SCHEMBL8817353 0.86 KAT7 (0.36) KAT7KAT6AHCRTR2HTTKAT6B
SCHEMBL8815503 0.85 PTGDR2 (0.35) PTGDR2LMNAPOLBMLYCDENPP2
SCHEMBL8819079 0.84 LMNA (0.36) PTGDR2LMNAPOLBMLYCDENPP2
SCHEMBL8817056 0.84 MLYCD (0.41) PTGDR2LMNAPOLBMLYCDMAPT
SCHEMBL8815570 0.83 ENPP2 (0.35) PTGDR2LMNAPOLBMLYCDENPP2
SCHEMBL8818303 0.83 ENPP2 (0.36) PTGDR2LMNAPOLBMLYCDENPP2

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-1997027187-A1 ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-31 WO disclosed