SCHEMBL28449123

SCHEMBL28449123

Cc1ccc(S(=O)(=O)n2c3ccccc3c3c(N)c(C#N)c(-c4ccc(Cl)cc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 2/20 0.41
▸ ALDH3A1 P30838 3/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CXCL8 P10145 2/20 0.38
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 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 0.95 AGTR1 (0.44) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28259260 0.92 L3MBTL1 (0.46) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28259247 0.92 L3MBTL1 (0.47) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28451888 0.91 AGTR1 (0.40) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28259257 0.91 AGTR1 (0.41) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28260945 0.89 HTR6 (0.49) AGTR1HTR6L3MBTL1ALDH1A1KDM4E
SCHEMBL28453278 0.88 CXCL8 (0.40) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28456977 0.88 PCSK9 (0.42) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28259245 0.84 NOD2 (0.41) AGTR1ALDH3A1HTR6L3MBTL1ALDH1A1
SCHEMBL28260975 0.82 PIK3CD (0.42) AGTR1ALDH3A1HTR6ALDH1A1KDM4E

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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