SCHEMBL28456977

SCHEMBL28456977

Cc1ccc(S(=O)(=O)n2c3ccccc3c3c(N)c(C#N)c(-c4ccccc4Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.42
▸ HTR6 P50406 6/20 0.40
▸ AGTR1 P30556 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 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 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28259245 0.89 NOD2 (0.41) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28259608 0.88 AGTR1 (0.44) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28449123 0.88 AGTR1 (0.41) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28259247 0.87 L3MBTL1 (0.47) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28451888 0.86 AGTR1 (0.40) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28259260 0.85 L3MBTL1 (0.46) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28259257 0.84 AGTR1 (0.41) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28453278 0.83 CXCL8 (0.40) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28260975 0.83 PIK3CD (0.42) PCSK9HTR6AGTR1GAACXCL8
SCHEMBL28260945 0.82 HTR6 (0.49) HTR6AGTR1GAACXCL8NOD1

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-B Method for preparing disubstituted 4-aminocarbazole compound 台州学院 2020-08-04 — — CN disclosed
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