SCHEMBL9168328

SCHEMBL9168328

FC(F)(F)CCCCCCC(F)(F)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AHR P35869 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
GRIN2B Q13224 2/20 0.34
HRH1 P35367 1/20 0.33
CHRM2 P08172 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
METAP1 P53582 1/20 0.31
BLM P54132 1/20 0.31
HIF1A Q16665 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
SCHEMBL22420948 0.82 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRCHRM2KDM4E
SCHEMBL17189971 0.78 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1AHRCHRM2KDM4E
SCHEMBL7742363 0.75 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRGRIN2BCHRM2
SCHEMBL29896219 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRGRIN2BCHRM2
SCHEMBL2466203 0.73 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2KDM4E
SCHEMBL16234253 0.73 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM2KDM4E
SCHEMBL1872051 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRGRIN2BCHRM2
SCHEMBL221865 0.73 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRGRIN2BHRH1
SCHEMBL5854793 0.73 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRGRIN2BCHRM2
SCHEMBL16861945 0.70 HRH1 (0.55) SMN1; SMN2HRH1LMNACYP1A2

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
EP-0494770-B1 Method for preparing N-fluoropyridinium salts ONODA CEMENT CO LTD (JP) 1995-05-10 EP disclosed
US-5336772-A Reacting pyridine compound, fluorine and Bronsted acid in specified ratios ONODA CEMENT CO., LTD. (JP) 1994-08-09 US disclosed
EP-0494770-A1 Method for preparing N-fluoropyridinium salts ONODA CEMENT COMPANY, LTD. (JP) 1992-07-15 EP disclosed