SCHEMBL28260975

SCHEMBL28260975

Cc1ccc(S(=O)(=O)n2c3ccccc3c3c(N)c(C#N)c(-c4cccs4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ GBA1 P04062 3/20 0.40
▸ HTR6 P50406 3/20 0.39
▸ AGTR1 P30556 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 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
SCHEMBL28259608 0.86 AGTR1 (0.44) HTR6AGTR1ADORA2AADORA1ALDH1A1
SCHEMBL28259247 0.85 L3MBTL1 (0.47) HTR6AGTR1ADORA2AADORA1KDM4E
SCHEMBL28259260 0.84 L3MBTL1 (0.46) HTR6AGTR1ADORA2AADORA1KDM4E
SCHEMBL28259245 0.83 NOD2 (0.41) HTR6AGTR1PIM1ALDH1A1TDP1
SCHEMBL28456977 0.83 PCSK9 (0.42) HTR6AGTR1ADORA2AADORA1KDM4E
SCHEMBL28259259 0.83 GBA1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGGBA1
SCHEMBL28449123 0.82 AGTR1 (0.41) HTR6AGTR1ADORA2AADORA1KDM4E
SCHEMBL28259257 0.82 AGTR1 (0.41) HTR6AGTR1ADORA2AADORA1KDM4E
SCHEMBL28453278 0.81 CXCL8 (0.40) HTR6AGTR1ADORA2AADORA1PIM1
SCHEMBL28451888 0.81 AGTR1 (0.40) HTR6AGTR1ALDH1A1TDP1GAA

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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