SCHEMBL29134980

SCHEMBL29134980

Cc1cc2c(OCc3ccccc3)cccc2n1-c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
VCP P55072 2/20 0.45
ROCK1 Q13464 1/20 0.45
MAPK14 Q16539 3/20 0.44
LTA4H P09960 1/20 0.44
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
BRD4 O60885 2/20 0.43
GRM5 P41594 1/20 0.43
PTGER1 P34995 2/20 0.42
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRD5A2 P31213 1/20 0.40
LIPE Q05469 1/20 0.39
HTR6 P50406 1/20 0.39
ATP4A P20648 1/20 0.39

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
SCHEMBL3199231 0.78 MAPK1 (0.56) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL1013987 0.77 PTGER1 (0.44) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL28901193 0.76 ROCK1 (0.65) MAPTMAPK1TDP1L3MBTL1ROCK1
SCHEMBL28487163 0.75 VCP (0.40) MAPK1L3MBTL1VCPPLAUHTT
SCHEMBL29134579 0.73 VCP (0.42) MAPTL3MBTL1VCPMAPK14BRD4
SCHEMBL20337868 0.71 CSF1R (0.49) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL29134588 0.70 KDM4E (0.41) MAPTVCPMAPK14
SCHEMBL769005 0.69 RHEB (0.55) MAPTMAPK1TDP1L3MBTL1ROCK1
SCHEMBL1563544 0.69 LTA4H (0.64) MAPTMAPK1TDP1L3MBTL1MAPK14
SCHEMBL28492642 0.69 SLC6A2 (0.45) MAPTVCP

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-117343044-A Synthesis method of 2-methyl-1- (pyridine-2-yl) indole compound 太原理工大学 2024-01-05 CN disclosed