SCHEMBL9868309

SCHEMBL9868309

O=C(O)c1sc(=O)n(Cc2ccccc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3B P49841 5/20 0.46
GSK3A P49840 4/20 0.46
RGS4 P49798 5/20 0.42
RGS8 P57771 5/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
CCR2 P41597 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL9521058 0.80 KDM4E (0.47) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9868143 0.79 L3MBTL1 (0.53) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9868147 0.79 KDM4E (0.49) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9519955 0.75 POLB (0.43) KDM4EGSK3BGSK3AMEN1MAPT
SCHEMBL9521586 0.74 CYP3A4 (0.36) KDM4EALDH1A1MAPK1
SCHEMBL9522954 0.74
SCHEMBL9519978 0.72 NOTUM (0.36) ALDH1A1NOTUM
SCHEMBL9519526 0.67 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9520206 0.67 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL28024350 0.67 TSHR (0.50) L3MBTL1MEN1KMT2ANOTUMCCR2

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
US-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed