SCHEMBL29035929

SCHEMBL29035929

CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
RAB9A P51151 4/20 0.58
GAA P10253 2/20 0.58
PRKCZ Q05513 1/20 0.57
AR P10275 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN11 Q06124 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
SCHEMBL24208929 0.84 MAPT (0.62) MAPTRAB9AGAAPRKCZAR
SCHEMBL31596346 0.83 MAPT (0.59) MAPTRAB9AGAAPRKCZAR
SCHEMBL27875662 0.82 RAB9A (0.55) MAPTRAB9AGAAPRKCZSMN1; SMN2
SCHEMBL29743169 0.82 RAB9A (0.55) MAPTRAB9AGAAPRKCZSMN1; SMN2
SCHEMBL26756135 0.77 AR (0.57) MAPTRAB9AGAAPRKCZAR
SCHEMBL5464409 0.76 MAPT (0.52) MAPTRAB9AGAAPRKCZAR
SCHEMBL11395126 0.76 MAPT (0.59) MAPTRAB9AGAAPRKCZAR
SCHEMBL7012400 0.76 MAPT (0.47) MAPTRAB9AGAAPRKCZAR
SCHEMBL4249297 0.75 GRM6 (0.70) MAPTRAB9AGAAPRKCZAR
SCHEMBL28362521 0.75 KCNJ1 (0.64) MAPTRAB9AGAAPRKCZAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790189-B Preparation method of intermediate of Rayleigh Lu Geli 海化生命(厦门)科技有限公司 2023-06-09 CN claimed
CN-114790189-A Preparation method of Ruugeli intermediate 海化生命(厦门)科技有限公司 2022-07-26 CN claimed
CN-114790189-B Preparation method of intermediate of Rayleigh Lu Geli 海化生命(厦门)科技有限公司 2023-06-09 CN disclosed
CN-114790189-B Preparation method of intermediate of Rayleigh Lu Geli 海化生命(厦门)科技有限公司 2023-06-09 CN disclosed
CN-114790189-A Preparation method of Ruugeli intermediate 海化生命(厦门)科技有限公司 2022-07-26 CN disclosed
CN-114790189-A Preparation method of Ruugeli intermediate 海化生命(厦门)科技有限公司 2022-07-26 CN disclosed