SCHEMBL29778014

SCHEMBL29778014

Cc1ccc(S(=O)(=O)n2c(C(c3cccs3)P(c3ccccc3)c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 3/20 0.46
AGTR1 P30556 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 3/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
GBA1 P04062 2/20 0.36
NOD2 Q9HC29 2/20 0.36
NOD1 Q9Y239 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL28790159 0.85 PCSK9 (0.48) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL28408113 0.83 PCSK9 (0.46) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL29778015 0.81 PCSK9 (0.44) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL29778017 0.78 HTR6 (0.43) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL11900581 0.76 AGTR1 (0.57) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL11901202 0.76 PCSK9 (0.54) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL29778012 0.76 PCSK9 (0.44) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL29778022 0.73 NOD1 (0.41) PCSK9AGTR1HTR6PSEN1PSEN2
SCHEMBL28408418 0.72 AGTR1 (0.70) PCSK9AGTR1L3MBTL1HTR6PSEN1
SCHEMBL15478162 0.71 PCSK9 (0.49) PCSK9AGTR1L3MBTL1HTR6PSEN1

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-111187298-B C2-phosphono methylene indole compound and preparation method and application thereof 成都大学 2022-07-19 CN disclosed