SCHEMBL28154016

SCHEMBL28154016

O=Cn1c(=O)sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6366188 0.84 L3MBTL1 (0.47) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL19546228 0.78 ALDH1A1 (0.38) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL13394645 0.77 L3MBTL1 (0.45) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL4614682 0.74 KMT2A (0.53) L3MBTL1KDM4EHTTNPC1RAB9A
SCHEMBL4614687 0.74 KMT2A (0.53) L3MBTL1KDM4EHTTNPC1RAB9A
SCHEMBL5606679 0.72 L3MBTL1 (0.52) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL3303703 0.72 KMT2A (0.47) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL3303698 0.72 KMT2A (0.47) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL14199347 0.72 L3MBTL1 (0.60) L3MBTL1KDM4EPKMTSHRMAPK1
SCHEMBL2371113 0.71 L3MBTL1 (0.55) L3MBTL1KDM4EPKMTSHRMAPK1

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-106665642-A Seed treatment composition 陈雨兰 2017-05-17 CN disclosed