SCHEMBL9567402

SCHEMBL9567402

O=C1CC(c2cccc(OC(F)F)c2)=NN1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DRD1 P21728 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAOB P27338 2/20 0.39
DGAT2 Q96PD7 4/20 0.38
ROCK2 O75116 2/20 0.38
APP P05067 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM4 Q14833 1/20 0.37
BACE1 P56817 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL9567320 0.74 GRM4 (0.38) MEN1MAPTKMT2AGAADRD1
SCHEMBL9567325 0.74 GRM4 (0.38) MEN1MAPTKMT2AGAADRD1
SCHEMBL9567332 0.73 KMT2A (0.50) MEN1MAPTKMT2AKDM4EDRD1
SCHEMBL9567329 0.73 KMT2A (0.50) MEN1MAPTKMT2AKDM4EDRD1
SCHEMBL11732162 0.73 MEN1 (0.61) MEN1MAPTKMT2AGAANPSR1
SCHEMBL9380509 0.73 MEN1 (0.78) MEN1MAPTKMT2AGAANPSR1
SCHEMBL14559413 0.72 KMT2A (0.68) MEN1MAPTKMT2AGAANPSR1
SCHEMBL28297921 0.70 PDE4A (0.46) MEN1MAPTKMT2AGAAAPP
SCHEMBL28264345 0.69 MEN1 (0.48) MEN1MAPTKMT2AGAANPSR1
SCHEMBL9379237 0.69 L3MBTL1 (0.47) MEN1MAPTKMT2AGAANPSR1

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
EP-0532996-A1 Diarylpyrazolinones BAYER AG (DE) 1993-03-24 EP disclosed