SCHEMBL9508161

SCHEMBL9508161

O=C(NN=C(Cc1ccccc1)c1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GRIK1 P39086 1/20 0.48
EPHX2 P34913 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CNR1 P21554 1/20 0.46
FPR2 P25090 1/20 0.46
MTOR P42345 2/20 0.46
BAZ1A Q9NRL2 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
FFAR2 O15552 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL9419902 0.84 CNR1 (0.57) GRIK1EPHX2RAB9ACNR1MTOR
SCHEMBL9018884 0.81 TP53 (0.58) KDM4ERAB9ANPC1CNR1MEN1
SCHEMBL9018847 0.79 SAE1 (0.49) EPHX2RAB9ANPC1FPR2MEN1
SCHEMBL9018902 0.78 EPHX2 (0.52) EPHX2RAB9ANPC1MTORBAZ1A
SCHEMBL9018831 0.77 TP53 (0.70) EPHX2RAB9ANPC1MEN1MAPT
SCHEMBL14186097 0.77 TP53 (0.70) EPHX2RAB9ANPC1MEN1MAPT
SCHEMBL12386612 0.77 TP53 (0.70) EPHX2RAB9ANPC1MEN1MAPT
SCHEMBL9018855 0.76 RAB9A (0.54) GRIK1RAB9ANPC1CNR1MEN1
SCHEMBL13521652 0.76 PTGS1 (0.56) RAB9AMTORBAZ1AMEN1MAPT
SCHEMBL161516 0.75 BAZ1A (0.71) GRIK1EPHX2RAB9ANPC1MTOR

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-0553284-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
WO-1992006076-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-16 WO disclosed