SCHEMBL8745846

SCHEMBL8745846

O=C(NN=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.47
SCN8A Q9UQD0 1/20 0.44
ATM Q13315 1/20 0.43
LIPE Q05469 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.42
RAPGEF3 O95398 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
EPHX2 P34913 1/20 0.40
HSD11B1 P28845 1/20 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 0.82 RAPGEF3 (0.45) MGLLKMT2AATMLIPESMN1; SMN2
SCHEMBL8753047 0.76 CHRNA7 (0.44) MGLLKMT2AATMLIPEALDH1A1
SCHEMBL8745833 0.73 PPARA (0.42) KMT2AKDM4EATMALDH1A1SMN1; SMN2
SCHEMBL3833768 0.72 PPARA (0.63) MGLLKMT2AATMNPC1RAB9A
SCHEMBL6140623 0.71 HSD11B1 (0.66) MGLLNPC1RAB9ATRPV1EPHX2
SCHEMBL8007491 0.70 HDAC3 (0.47) MGLLKMT2AKDM4EATMNPC1
SCHEMBL8821844 0.69 EPHX2 (0.58) MGLLATMNPC1RAB9ATRPV1
SCHEMBL16109389 0.68 HSD11B1 (0.49) MGLLNPC1RAB9ATRPV1EPHX2
SCHEMBL11041907 0.68 POLB (0.50) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL255564 0.68 CCR6 (0.50) MGLLKMT2AATMALDH1A1TRPV1

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