SCHEMBL8098283

SCHEMBL8098283

COc1nn(C)c(=O)n1-c1ccsc1CON=C(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARD Q03181 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAOA P21397 1/20 0.33
GAA P10253 3/20 0.32

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
SCHEMBL8100200 1.00 KMT2A (0.36) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL8552570 0.87 MAPT (0.36) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL8552569 0.87 MAPT (0.36) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL8106692 0.87 PPARG (0.30) PPARGPPARA
SCHEMBL8106696 0.87 PPARG (0.30) PPARGPPARA
SCHEMBL119998 0.86 KMT2A (0.37) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL29870686 0.86 KMT2A (0.37) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL119997 0.86 KMT2A (0.37) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL959562 0.86 KMT2A (0.37) KMT2APPARGPPARAMEN1NPSR1
SCHEMBL32678199 0.86 KMT2A (0.37) KMT2APPARGPPARAMEN1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed