SCHEMBL3433519

SCHEMBL3433519

COc1c(B2OC(C)(C)C(C)(C)O2)cn(S(=O)(=O)c2ccc(C)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ PRTN3 P24158 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10006748 0.80 PIM1 (0.33) ELANEPRTN3L3MBTL1
SCHEMBL28897192 0.76 ELANE (0.38) ELANEPRTN3PKMKMT2ACA1
SCHEMBL12011379 0.76 HTR6 (0.45) PKMHTR6KMT2ASMN1; SMN2KDM4E
SCHEMBL1894122 0.76 HTR6 (0.55) HTR6
SCHEMBL1893107 0.76 HTR6 (0.48) HTR6KMT2ASMN1; SMN2
SCHEMBL12011373 0.75 HTR6 (0.43) HTR6KDM4EUBE2NL3MBTL1
SCHEMBL12011377 0.75 HTR6 (0.43) HTR6KDM4EUBE2NLMNAL3MBTL1
SCHEMBL1892254 0.75 HTR6 (0.39) PKMHTR6KDM4EUBE2NLMNA
SCHEMBL21068128 0.75 JAK2 (0.46) ELANEPRTN3PKMHTR6CA1
SCHEMBL17518589 0.75 JAK2 (0.35) ELANEPRTN3PKMHTR6KMT2A

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
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 — — WO disclosed
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