SCHEMBL28132995

SCHEMBL28132995

O=S(=O)(Oc1cccc2cc(N3CCCCC3)ccc12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 2/20 0.41
HSD11B1 P28845 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 5/20 0.38
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD5 P21918 3/20 0.37
DRD3 P35462 3/20 0.37
HSD17B10 Q99714 2/20 0.36
TERT O14746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL30480094 0.79 LMNA (0.48) LMNAMAPK1HTTSMN1; SMN2HTR6
SCHEMBL17099790 0.79 LMNA (0.48) LMNAMAPK1HTTSMN1; SMN2HTR6
SCHEMBL5088679 0.77 DRD2 (0.36) HTR6DRD2DRD1DRD4DRD5
SCHEMBL8585353 0.77 NR1H3 (0.39) LMNADRD2MEN1ALDH1A1HPGD
SCHEMBL8222700 0.75 SCN9A (0.39) DRD2DRD3HPGD
SCHEMBL3133132 0.75 ACHE (0.36) MAPK1DRD2DRD1DRD4DRD5
SCHEMBL15712827 0.75 PLAU (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29213977 0.74 PTPN1 (0.42)
SCHEMBL1056365 0.74 ALDH1A1 (0.46) MAPK1HTTL3MBTL1DRD2DRD1
SCHEMBL29937164 0.74 ALDH1A1 (0.46) MAPK1HTTL3MBTL1DRD2DRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483335-A Amyloid protein targeting agent and its application method AMYDIS INC 2019-11-22 CN disclosed
CN-106573880-B Amyloid targeting agents and methods of use thereof 阿米达斯公司 2019-07-30 CN disclosed
CN-106573880-A Amyloid targeting agents and methods of use thereof 阿米达斯诊断公司 2017-04-19 CN disclosed