SCHEMBL28156830

SCHEMBL28156830

COc1ccc(CC(=O)Cc2ccc3sc(C=Cc4ccccc4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 4/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
STAT1 P42224 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 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
SCHEMBL28846067 0.90 KAT8 (0.48) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4017956 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL4017957 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL28156829 0.78 RAB9A (0.45) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL28280854 0.77 MEN1 (0.50) RAB9ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL825345 0.74 MEN1 (0.66) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL825346 0.74 MEN1 (0.66) RAB9ANPC1SMN1; SMN2PKMKDM4E
SCHEMBL28282160 0.73 ATP4A (0.46) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4032340 0.71 NPC1 (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4360036 0.71 MAPT (0.59) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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-106831641-A Benzothiazole derivatives and preparation method thereof 浙江工业大学 2017-06-13 CN disclosed