SCHEMBL29839941

SCHEMBL29839941

c1csc(C2=NOCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
RPS6KB2 Q9UBS0 3/20 0.44
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NISCH Q9Y2I1 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TDO2 P48775 1/20 0.36
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11292201 0.69 MAPT (0.45) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL25204309 0.67 NISCH (0.46) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL8082831 0.67 KDM4E (0.44) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL3890295 0.66 KDM4E (0.53) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL9064647 0.66 MAPT (0.42) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL16291133 0.65 L3MBTL1 (0.57) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL3545 0.65 L3MBTL1 (0.57) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL15873586 0.64 RPS6KB2 (0.50) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL13700959 0.63 MAPT (0.43) MAPTRPS6KB2KDM4EL3MBTL1MEN1
SCHEMBL4612758 0.63 RPS6KB2 (0.38) MAPTRPS6KB2KDM4EL3MBTL1MEN1

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
CN-112661584-B Preparation method of photocatalytic N-alkyl amide compound 大连理工大学 2022-08-05 CN claimed