SCHEMBL16038673

SCHEMBL16038673

CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KCNH2 Q12809 6/20 0.31
LMNA P02545 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL133213 0.92 FDPS (0.40) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL1172385 0.90 FDPS (0.35) FDPSSMN1; SMN2MEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL15768578 0.87 FDPS (0.40) FDPSSMN1; SMN2MEN1APAF1NPC1
Trifluoromethanesulfonic Acid SCHEMBL4553127 0.87 FDPS (0.40) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL6122192 0.86 FDPS (0.33) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL15991670 0.84 FDPS (0.37) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL8080635 0.84 SMN1; SMN2 (0.36) FDPSSMN1; SMN2MEN1APAF1NPC1
Sulfuric Acid SCHEMBL2325415 0.84 SMN1; SMN2 (0.46) FDPSSMN1; SMN2MEN1APAF1NPC1
Trifluoromethanesulfonamide SCHEMBL5168110 0.83 SMN1; SMN2 (0.40) FDPSSMN1; SMN2MEN1APAF1NPC1
Trifluoromethanesulfonamide SCHEMBL2119091 0.83 SMN1; SMN2 (0.40) FDPSSMN1; SMN2MEN1APAF1NPC1

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
US-20140272408-A1 WATER-DISPERSIBLE ACRYLIC PRESSURE-SENSITIVE ADHESIVE COMPOSITION, PRESSURE-SENSITIVE ADHESIVE LAYER, AND PRESSURE-SENSITIVE ADHESIVE SHEET NITTO DENKO CORPORATION (JP) 2014-09-18 US disclosed