SCHEMBL8570445

SCHEMBL8570445

CC(Cc1ccccc1)=NS

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTBP2 P56545 1/20 0.41
NOS2 P35228 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL25620241 0.81 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL10177334 0.79 CTBP2 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL14667472 0.79 CTBP2 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL3658960 0.79 CTBP2 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL19433078 0.79 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL13902884 0.79 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL17916181 0.76 NOS1 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL18947171 0.76 NOS1 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL19433076 0.76 NOS1 (0.52) KDM4EALDH1A1KMT2AMEN1CES2
SCHEMBL18840218 0.74 MAPT (0.49) KDM4EALDH1A1KMT2AMEN1CES2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998008387-A1 PLANT PROTECTANTS KHOMUTOV RADII M (RU) 1998-03-05 WO disclosed