SCHEMBL6864946

SCHEMBL6864946

CCn1cc[n+](C)c1.FC(F)(F)[B-](C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
FDPS P14324 3/20 0.36
LMNA P02545 1/20 0.33
PON1 P27169 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
SCHEMBL16968715 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL5585615 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL60789 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL6750309 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL8169330 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL14859660 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9931725 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL34729 0.84
SCHEMBL4952436 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2393374 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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
US-6815119-B2 FOR USE IN ELECTROLYTES, BATTERIES, CAPACITORS, SUPERCAPACITORS, GALVANIC CELLS MERCK PATENT GMBH (DE) 2004-11-09 US disclosed
US-20020090547-A1 For use in electrolytes, batteries, capacitors, supercapacitors, galvanic cells MERCK PATENT GMBH (DE) 2002-07-11 US disclosed