SCHEMBL28446914

SCHEMBL28446914

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.46
▸ PCSK9 Q8NBP7 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR6 P50406 4/20 0.41
▸ GAA P10253 2/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL28866612 0.88 AGTR1 (0.44) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28259247 0.81 L3MBTL1 (0.47) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28436494 0.80 HTR6 (0.42) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28259260 0.79 L3MBTL1 (0.46) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28259608 0.78 AGTR1 (0.44) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28259252 0.75 GAA (0.46) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28451888 0.74 AGTR1 (0.40) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28449123 0.74 AGTR1 (0.41) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL28259257 0.74 AGTR1 (0.41) AGTR1PCSK9L3MBTL1HTR6GAA
SCHEMBL10375913 0.73 HTR6 (0.50) AGTR1PCSK9L3MBTL1HTR6GAA

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-109081807-B Method for preparing tri-substituted 4-aminocarbazole and di-substituted 1-aminodibenzo [ b, d ] thiophene compounds 台州学院 2020-08-04 — — CN disclosed
CN-109081807-A A kind of three substitution 4- aminocarbazole classes and two that prepare replace the method for 1- aminodiphenyls simultaneously [b, d] thiophenes 台州学院 2018-12-25 — — CN disclosed
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