SCHEMBL23969324

SCHEMBL23969324

C=C(CC)c1cc(C)ccc1NCCCCCNC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.40
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 1/20 0.35
KAT2B Q92831 2/20 0.35
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
PLK3 Q9H4B4 1/20 0.32

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
SCHEMBL22175908 0.81 SIGMAR1 (0.37) PLK1L3MBTL4L3MBTL3TDP1ALDH1A1
SCHEMBL22176523 0.81 SIGMAR1 (0.37) PLK1L3MBTL4L3MBTL3TDP1ALDH1A1
SCHEMBL22175863 0.81 SIGMAR1 (0.37) PLK1L3MBTL4L3MBTL3TDP1ALDH1A1
SCHEMBL22175858 0.79 L3MBTL4 (0.38) PLK1L3MBTL4L3MBTL3TDP1ALDH1A1
SCHEMBL21075951 0.79 PKM (0.39) PLK1HDAC6ALDH1A1L3MBTL1
SCHEMBL23969212 0.78 SIGMAR1 (0.37) PLK1L3MBTL4L3MBTL3TDP1ALDH1A1
SCHEMBL22176372 0.76 L3MBTL4 (0.34) L3MBTL4L3MBTL3TDP1ALDH1A1L3MBTL1
SCHEMBL23969239 0.74 CHEK1 (0.32) L3MBTL4L3MBTL3FLT3TYRO3MERTK
SCHEMBL23969437 0.71 SIGMAR1 (0.33) L3MBTL1
SCHEMBL21337896 0.70 PLK1 (0.41) PLK1HDAC6CNR2KAT2B

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-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed