SCHEMBL10123459

SCHEMBL10123459

CC(F)(F)C(C)(NC(=O)Nc1ccccc1S(N)(=O)=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ CA2 P00918 16/20 0.56
▸ CA1 P00915 14/20 0.56
▸ CA9 Q16790 7/20 0.51
▸ CA12 O43570 3/20 0.51
▸ PTGES2 Q9H7Z7 1/20 0.45

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
SCHEMBL422371 0.94 GAA (0.69) LMNAGAAMAPTHTTCA2
SCHEMBL10123505 0.80 HTT (0.64) LMNAGAAMAPTHTT
SCHEMBL10123513 0.80 MAPT (0.64) LMNAGAAMAPTHTT
SCHEMBL10123581 0.80 MAPT (0.59) LMNAGAAMAPTHTT
SCHEMBL13993357 0.79 MAPT (0.62) LMNAGAAMAPTHTT
SCHEMBL10123372 0.79 GAA (0.62) LMNAGAAMAPTHTT
SCHEMBL10123537 0.78 GAA (0.61) LMNAGAAMAPTHTT
SCHEMBL10123582 0.77 MAPT (0.59) LMNAGAAMAPTHTTCA2
SCHEMBL10123376 0.77 PDK1 (0.60) LMNAGAAMAPTHTT
SCHEMBL10123512 0.77 ABCC9 (0.60) GAAMAPTCA2CA1CA9

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-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 — — WO disclosed
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