SCHEMBL28866612

SCHEMBL28866612

Cc1ccc(S(=O)(=O)n2c3ccccc3c3c(N)c(C#N)c(Cl)c(-c4ccccc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.44
▸ PCSK9 Q8NBP7 2/20 0.43
▸ GAA P10253 3/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ PDE9A O76083 1/20 0.41
▸ PDE1C Q14123 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH3A1 P30838 2/20 0.40
▸ HTR6 P50406 3/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL28446914 0.88 AGTR1 (0.46) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28259247 0.79 L3MBTL1 (0.47) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28259260 0.78 L3MBTL1 (0.46) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28451888 0.77 AGTR1 (0.40) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28436494 0.77 HTR6 (0.42) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28449123 0.76 AGTR1 (0.41) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28259608 0.76 AGTR1 (0.44) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28456977 0.75 PCSK9 (0.42) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28259252 0.73 GAA (0.46) AGTR1PCSK9GAACXCL8NOD2
SCHEMBL28259257 0.72 AGTR1 (0.41) AGTR1PCSK9GAACXCL8NOD2

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-108947890-A A method of preparing two substitution 4- aminocarbazole class compounds 台州学院 2018-12-07 — — CN disclosed
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