SCHEMBL6476852

SCHEMBL6476852

Nc1ncccc1N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
NFE2L2 Q16236 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
KMT2A Q03164 1/20 0.30
PRKCI P41743 1/20 0.30
MAPK1 P28482 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX12 P18054 1/20 0.30
MAP4K4 O95819 1/20 0.30
HSD11B1 P28845 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6474493 0.80 NFE2L2 (0.38) NFE2L2KMT2ALMNA
SCHEMBL5539664 0.74 NFE2L2 (0.31) NFE2L2
SCHEMBL5537285 0.74 HSP90AA1 (0.44) HRH4
SCHEMBL2205464 0.71 ESR1 (0.36) CA1CA2KMT2ACA9HSD11B1
SCHEMBL306348 0.70 ALDH1A1 (0.41) NFE2L2KMT2AKDM4ELMNA
SCHEMBL29443546 0.70 ALDH1A1 (0.41) NFE2L2KMT2AKDM4ELMNA
SCHEMBL27726966 0.70 CA2 (0.40) NOS3NOS1NOS2NAPRTNFE2L2
SCHEMBL7668811 0.70 NFE2L2 (0.39) NFE2L2SLC40A1LMNA
SCHEMBL29435567 0.66 NOS3 (0.52) NOS3NOS1NOS2NAPRTKMT2A
SCHEMBL11262903 0.66 NOS3 (0.52) NOS3NOS1NOS2NAPRTKMT2A

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-2005118520-A1 METHOD FOR PREPARING RHODOMYCINONE DERIVATIVES ARCHEMIS (FR) 2005-12-15 WO disclosed