SCHEMBL19221977

SCHEMBL19221977

Cc1ccc(S(=O)(=O)n2cc(-c3c(C)[nH]c4ncccc34)c3ccncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PDPK1 O15530 2/20 0.44
▸ HTR6 P50406 7/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ LATS1 O95835 3/20 0.40
▸ LATS2 Q9NRM7 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ KLK7 P49862 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
SCHEMBL15388907 0.93 PDPK1 (0.51) L3MBTL1PDPK1HTR6DRD2HTR2A
SCHEMBL30461646 0.77 HTR6 (0.61) L3MBTL1PDPK1HTR6CA2CA9
SCHEMBL25422336 0.77 HTR6 (0.61) L3MBTL1PDPK1HTR6CA2CA9
SCHEMBL12501042 0.73 PDPK1 (0.68) PDPK1HTR6DRD2HTR2AHTR7
SCHEMBL30461607 0.72 DYRK1B (0.48) L3MBTL1PDPK1HTR6DRD2HTR2A
SCHEMBL25420973 0.72 DYRK1A (0.55) L3MBTL1PDPK1HTR6CA2CA9
SCHEMBL25422412 0.72 DYRK1B (0.48) L3MBTL1PDPK1HTR6DRD2HTR2A
SCHEMBL25420439 0.72 HTR6 (0.51) L3MBTL1HTR6CA2CA9KDM4E
SCHEMBL12450003 0.72 HTR6 (0.51) L3MBTL1PDPK1HTR6CA2CA9
SCHEMBL30461713 0.72 HTR6 (0.51) L3MBTL1HTR6CA2CA9KDM4E

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
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
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