SCHEMBL28294976

SCHEMBL28294976

Cc1nn(C)c(N)c1-c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.43
CDK8 P49336 1/20 0.43
ACVR1 Q04771 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MPL P40238 1/20 0.37
HSD11B1 P28845 2/20 0.36
TLR8 Q9NR97 1/20 0.36
HCRTR1 O43613 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL30151194 0.84 MAPT (0.50) MAPTPOLBCDK8ACVR1NPC1
SCHEMBL1726326 0.83 MAPT (0.59) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL1725607 0.81 MAPT (0.49) MAPTPOLBMAPK14KDM4EALDH1A1
SCHEMBL28195585 0.80 MAPT (0.60) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL28298139 0.80 MAPT (0.60) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL2579633 0.80 MAPT (0.51) MAPTPOLBCDK8SMN1; SMN2NPC1
SCHEMBL16402315 0.78 MAPT (0.46) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL19743580 0.76 MAPT (0.51) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL29039033 0.76 MAPT (0.51) MAPTPOLBCDK8ACVR1SMN1; SMN2
SCHEMBL4219600 0.75 MAPT (1.00) MAPTPOLBCDK8ACVR1SMN1; SMN2

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-109890206-A Anil that 4- is substituted and its plant pathogenic microorganisms being not intended in confrontation are with the purposes on cover crop 印度商皮埃企业有限公司 2019-06-14 CN disclosed