SCHEMBL21133073

SCHEMBL21133073

O=C(Nc1cccc(S)c1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
NPY5R Q15761 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL20981664 0.87 L3MBTL1 (0.82) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL826360 0.80 L3MBTL1 (0.67) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29659984 0.80 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AGAAMEN1
SCHEMBL5546915 0.80 L3MBTL1 (0.67) L3MBTL1NPC1RAB9AGAAMEN1
SCHEMBL2723870 0.79 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2883710 0.79 MAPT (0.68) L3MBTL1MAPTTP53RAB9AGAA
SCHEMBL1820206 0.79 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL1820057 0.79 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2456608 0.79 L3MBTL1 (0.75) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL5546919 0.79 L3MBTL1 (0.70) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT

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
EP-3502198-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INFRARED READING METHOD, AND PRINTED PRODUCT FUJIFILM Corporation (JP) 2019-06-26 EP disclosed