SCHEMBL8745833

SCHEMBL8745833

CC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 3/20 0.42
FABP2 P12104 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL8745852 0.91 RAPGEF3 (0.45) PPARAPPARGFABP2SLC22A12PSEN1
SCHEMBL10973313 0.82 MEN1 (0.42) PPARAPPARGFABP2SLC22A12PSEN1
SCHEMBL9079609 0.82 MEN1 (0.42) PPARAPPARGFABP2SLC22A12PSEN1
SCHEMBL8745850 0.77 PPARA (0.61) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL8745843 0.76 GRIN2B (0.43) PPARAPPARGFABP2SLC22A12PSEN1
SCHEMBL8745846 0.73 MGLL (0.52) KMT2ASMN1; SMN2ALDH1A1KDM4EACHE
SCHEMBL8753047 0.73 CHRNA7 (0.44) PPARAPPARGFABP2SLC22A12PSEN1
SCHEMBL9324441 0.72 PPARA (0.45) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL11032658 0.72 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11032656 0.72 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-0757671-A1 PERHALOALKOXYBENZENOPHENONE HYDRAZONES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-02-12 EP disclosed
WO-1995029889-A1 PERHALOALKOXYBENZENOPHENONE HYDRAZONES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1995-11-09 WO disclosed