SCHEMBL788016

SCHEMBL788016

Cc1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c(C)c(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 3/20 0.57
▸ PFKFB4 Q16877 1/20 0.57
▸ EDNRA P25101 2/20 0.57
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ EDNRB P24530 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ DNMT3B Q9UBC3 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42

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
SCHEMBL30267833 0.86 PFKFB3 (0.59) PFKFB3PFKFB4EDNRAKMT2APOLB
SCHEMBL15063697 0.86 PFKFB3 (0.59) PFKFB3PFKFB4EDNRAKMT2APOLB
SCHEMBL788371 0.82 KMT2A (0.60) PFKFB3PFKFB4EDNRAMAPTKMT2A
SCHEMBL787540 0.80 PFKFB3 (0.58) PFKFB3PFKFB4EDNRAMAPTKMT2A
SCHEMBL788401 0.79 EDNRA (0.53) PFKFB3PFKFB4EDNRAKMT2APOLB
SCHEMBL788078 0.79 EDNRA (0.53) PFKFB3PFKFB4EDNRAKMT2APOLB
SCHEMBL788107 0.78 PFKFB3 (0.59) PFKFB3PFKFB4EDNRAMAPTKMT2A
SCHEMBL788385 0.78 EDNRA (0.52) PFKFB3PFKFB4EDNRAMAPTKMT2A
SCHEMBL788034 0.77 PFKFB3 (0.63) PFKFB3PFKFB4EDNRAKMT2APOLB
SCHEMBL787817 0.77 EDNRA (0.54) PFKFB3PFKFB4EDNRAMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 — — EP claimed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — WO claimed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 — — EP disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — WO disclosed
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