SCHEMBL9301715

SCHEMBL9301715

COC(=O)c1ncccc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.41
SLC40A1 Q9NP59 2/20 0.41
TLR7 Q9NYK1 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
RORC P51449 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
MAP2K1 Q02750 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL12378236 0.81 L3MBTL1 (0.55) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL5700122 0.81 L3MBTL1 (0.55) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL30547366 0.81 L3MBTL1 (0.55) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL17675152 0.80 SYK (0.38) L3MBTL1ALDH1A1SLC40A1TLR7TDP1
SCHEMBL22827577 0.80 CA1 (0.57) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL12378235 0.80 L3MBTL1 (0.54) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL29910209 0.80 CA1 (0.57) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL20787063 0.79 L3MBTL1 (0.53) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL30547377 0.79 L3MBTL1 (0.53) ACLYL3MBTL1ALDH1A1SLC40A1TDP1
SCHEMBL22827859 0.78 L3MBTL1 (0.51) ACLYL3MBTL1ALDH1A1SLC40A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994009002-A1 2-(AZA-9-FLUORENONYL)CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
US-5294610-A Staphylococcus; side effect reduction MERCK & CO. INC. (US) 1994-03-15 US disclosed