SCHEMBL28037372

SCHEMBL28037372

CC(C)(C)OC(=O)Nc1cccc(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.40
MAPK8 P45983 1/20 0.39
CA1 P00915 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LCK P06239 2/20 0.37
SCN9A Q15858 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CCR2 P41597 1/20 0.35
KAT6A Q92794 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL28997343 0.80 SORT1 (0.48) SORT1MAPK8MEN1NPC1RAB9A
SCHEMBL29394473 0.79 LCK (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL21827970 0.78 GSK3B (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL16874236 0.78 MAPK8 (0.42) SORT1MAPK8MEN1NPC1GAA
SCHEMBL29607855 0.78 MAPK8 (0.42) SORT1MAPK8MEN1NPC1GAA
SCHEMBL3427901 0.78 MAPK8 (0.47) SORT1MAPK8MEN1NPC1GAA
SCHEMBL29196630 0.77 LMNA (0.46) NPC1GAARAB9ALCKLMNA
SCHEMBL18354883 0.76 MAPK8 (0.49) SORT1MAPK8NPC1RAB9ALCK
SCHEMBL2250438 0.76 FFAR2 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL24232889 0.75 NAMPT (0.44) MEN1NPC1KMT2APOLBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462650-A Non-goetide method for synthesizing nylon 沈阳药科大学 2025-02-18 CN disclosed
CN-104987333-B Filgotinib synthetic method 苏州富士莱医药股份有限公司 2017-01-11 CN disclosed
CN-104987333-A Filgotinib synthetic method SUZHOU FUSHILAI PHARMACEUTICAL CO LTD 2015-10-21 CN disclosed