SCHEMBL8745852

SCHEMBL8745852

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.45
MGLL Q99685 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 5/20 0.44
CHRNA7 P36544 1/20 0.43
PPARA Q07869 2/20 0.43
FABP2 P12104 1/20 0.43
PPARG P37231 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
MAPT P10636 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ATM Q13315 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL8745833 0.91 PPARA (0.42) RAPGEF3MEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL10973313 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2PPARAFABP2
SCHEMBL9079609 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2PPARAFABP2
SCHEMBL8753047 0.83 CHRNA7 (0.44) RAPGEF3MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL8745846 0.82 MGLL (0.52) RAPGEF3MGLLKMT2ASMN1; SMN2TRPV1
SCHEMBL8007491 0.76 HDAC3 (0.47) MGLLMEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL3833768 0.76 PPARA (0.63) MGLLMEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL8753641 0.73 GRIN2B (0.40) RAPGEF3MGLLMEN1KMT2ATRPV1
SCHEMBL8821844 0.73 EPHX2 (0.58) MGLLTRPV1ATMEPHX2
SCHEMBL11032656 0.73 MEN1 (0.41) MEN1KMT2ASMN1; SMN2PSEN1PSEN2

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