SCHEMBL5200933

SCHEMBL5200933

C=C(NOCc1ccccc1-n1c(OC)nn(C)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.35
HTR2A P28223 1/20 0.34
TP53 P04637 1/20 0.34
MAOB P27338 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
MAOA P21397 1/20 0.33
THRB P10828 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL8147684 0.85 RHOC (0.36) GAAALDH1A1RHOCRHOATSHR
SCHEMBL959562 0.82 KMT2A (0.37) GAALMNAHTR2AMAOBNPSR1
SCHEMBL29870686 0.82 KMT2A (0.37) GAALMNAHTR2AMAOBNPSR1
SCHEMBL119998 0.82 KMT2A (0.37) GAALMNAHTR2AMAOBNPSR1
SCHEMBL119997 0.82 KMT2A (0.37) GAALMNAHTR2AMAOBNPSR1
SCHEMBL17393677 0.80 KDM4E (0.39) LMNATP53MAOBMEN1KMT2A
SCHEMBL8155257 0.80 GAA (0.34) GAALMNAHTR2ATP53MAOB
SCHEMBL8155255 0.80 GAA (0.34) GAALMNAHTR2ATP53MAOB
SCHEMBL8149111 0.79 LMNA (0.38) GAALMNAHTR2AMAOBNPSR1
SCHEMBL8149110 0.79 LMNA (0.38) GAALMNAHTR2AMAOBNPSR1

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-1802197-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS Bayer CropScience Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006040016-A1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed