SCHEMBL28580100

SCHEMBL28580100

CCN(CC)C(=O)c1csc(C(=O)N2CCSCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 6/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G4A P47712 1/20 0.34
HTT P42858 1/20 0.34
RYR2 Q92736 1/20 0.34
RORC P51449 1/20 0.33
HTR2C P28335 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL28585580 0.86 HPGD (0.48) MAPTMAPK1GFERHPGDRAB9A
SCHEMBL28588645 0.84 MAPT (0.39) MAPTMAPK1GFERHPGDRAB9A
SCHEMBL28578241 0.83 RORC (0.49) MAPTMAPK1GFERHPGDRAB9A
SCHEMBL17711525 0.80 HPGD (0.47) HPGDRAB9AALDH1A1L3MBTL1HSD17B10
SCHEMBL17761016 0.79 HPGD (0.46) HPGDRAB9AALDH1A1CNR2HSD17B10
SCHEMBL28585047 0.77 RORC (0.50) MAPTMAPK1GFERRAB9AALDH1A1
SCHEMBL17711415 0.75 HPGD (0.40) HPGDRAB9AALDH1A1CNR2HSD17B10
SCHEMBL17716662 0.75 MAPT (0.50) MAPTMAPK1GFERHPGDRAB9A
SCHEMBL17717309 0.75 MAPT (0.50) MAPTMAPK1GFERHPGDRAB9A
SCHEMBL28588701 0.74 MAPT (0.49) MAPTMAPK1GFERHPGDRAB9A

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-112979630-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2021-06-18 CN disclosed