SCHEMBL2733302

SCHEMBL2733302

CCC(N(C(=O)NNS(=O)(=O)c1ccc(OC(F)F)cc1)C(CC)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.40
PTGER4 P35408 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.38
KAT6A Q92794 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2732432 0.84 KAT6A (0.46) KAT6ASMN1; SMN2ALDH1A1GAA
SCHEMBL2732838 0.83 MMP1 (0.46) KAT6AGAA
SCHEMBL2733097 0.83 KAT6A (0.51) MAPTKAT6ALMNASMN1; SMN2ALDH1A1
SCHEMBL2733494 0.83 GAA (0.46) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2732636 0.78 KAT6A (0.37) KAT6ALMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2733301 0.76 MAPT (0.37) DAGLAMAPTGFERKAT6ALMNA
SCHEMBL2732090 0.75 PKM (0.46) MAPTLMNAPKMALDH1A1GAA
SCHEMBL421293 0.74 MAPT (0.46) DAGLAPTGER4MAPTGFERKAT6A
SCHEMBL2732878 0.72 NR3C1 (0.44)
SCHEMBL10122087 0.72 GAA (0.43) MAPTGFERKAT6ALMNASMN1; SMN2

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 claimed