SCHEMBL8769034

SCHEMBL8769034

O=c1c(NCCc2ccccc2)c(Nc2ccc(OC(F)(F)F)cc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.59
FGFR1 P11362 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
PLK1 P53350 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 1/20 0.48
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
ACHE P22303 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
HDAC1 Q13547 4/20 0.43
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NRP1 O14786 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL30673004 0.79 MEN1 (0.62) FESFGFR1FLT4KDRMEN1
SCHEMBL4364173 0.76 FLT4 (0.79) FESFGFR1FLT4KDRPLK1
SCHEMBL28637985 0.75 PLK1 (0.53) FLT4PLK1MEN1KMT2AEPHX2
SCHEMBL4025807 0.74 FLT4 (1.00) FESFGFR1FLT4KDRPLK1
SCHEMBL8870080 0.73 MAPKAPK2 (0.62) PLK1MAPKAPK2HDAC1
SCHEMBL9149213 0.73 MAPKAPK2 (0.62) PLK1MAPKAPK2HDAC1
SCHEMBL4368146 0.72 CHEK1 (0.53) FESFGFR1FLT4KDRMAPKAPK2
SCHEMBL30673035 0.71 MEN1 (0.52) FESFGFR1FLT4KDRMEN1
SCHEMBL11125111 0.71 CTSC (0.56) MEN1KMT2AEPHX2MAPTPLA2G1B
SCHEMBL27249149 0.71 AURKB (0.58) FESFGFR1FLT4KDRMEN1

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-0789690-A1 N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-20 EP claimed
WO-1996014300-A1 N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-17 WO claimed