SCHEMBL28595152

SCHEMBL28595152

COc1ccc(CN(C)C(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.49
PYCR1 P32322 1/20 0.49
APLNR P35414 2/20 0.47
SLC6A4 P31645 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 2/20 0.45
LDHA P00338 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL14438327 0.85 APLNR (0.55) HTTSMN1; SMN2ALDH1A1PYCR1APLNR
SCHEMBL6565385 0.83 APLNR (0.49) HTTSMN1; SMN2ALDH1A1POLBPYCR1
SCHEMBL30832274 0.83 ALDH1A1 (0.45) HTTSMN1; SMN2ALDH1A1POLBPYCR1
SCHEMBL17271883 0.82 HTT (0.47) HTTSMN1; SMN2ALDH1A1POLBPYCR1
SCHEMBL17312006 0.81 SLC6A4 (0.56) HTTSMN1; SMN2ALDH1A1PYCR1APLNR
SCHEMBL20226707 0.80 PYCR1 (0.47) HTTSMN1; SMN2ALDH1A1PYCR1APLNR
SCHEMBL25402687 0.80 HTT (0.45) HTTSMN1; SMN2ALDH1A1POLBPYCR1
SCHEMBL25402685 0.80 HTT (0.45) HTTSMN1; SMN2ALDH1A1POLBPYCR1
SCHEMBL17271536 0.79 HTT (0.51) HTTSMN1; SMN2ALDH1A1PYCR1APLNR
SCHEMBL25402065 0.77 ALDH1A1 (0.54) HTTSMN1; SMN2ALDH1A1APLNRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087686-B Cyano-containing biquaternary ammonium compound and preparation method and application thereof 四川大学华西医院 2023-06-09 CN disclosed
CN-113087686-A Cyano-containing quaternary ammonium compounds and preparation method and application thereof 四川大学华西医院 2021-07-09 CN disclosed