SCHEMBL534803

SCHEMBL534803

CCCCCCCCN(F)S(=O)(=O)c1ccccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
SERPINE1 P05121 1/20 0.35
KMT2A Q03164 1/20 0.34
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
MCHR1 Q99705 1/20 0.34
CNR2 P34972 2/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
RECQL P46063 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KCNH2 Q12809 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
SCHEMBL1492486 0.87 MCHR1 (0.33) TDP1SERPINE1MCHR1CNR2NPC1
SCHEMBL115913 0.83 MCHR1 (0.35) TDP1SERPINE1KMT2AMCHR1CNR2
SCHEMBL3766082 0.82 TDP1 (0.33) TDP1SERPINE1KMT2APTGESALOX5
SCHEMBL3766085 0.80 BID (0.33) TDP1SERPINE1MCHR1KCNH2
SCHEMBL534940 0.75 LIPG (0.43) TDP1RECQLKCNH2
SCHEMBL3766087 0.72 RECQL (0.36) TDP1KMT2ACNR2RECQLCA12
SCHEMBL29028581 0.72 TDP1 (0.60) TDP1SERPINE1PTGESALOX5MCHR1
SCHEMBL29028661 0.68 MCHR1 (0.59) TDP1SERPINE1KMT2APTGESALOX5
SCHEMBL5573340 0.68 LIPG (0.39) TDP1ALOX5TSHR
SCHEMBL28206790 0.67 MYC (0.36) TDP1TSHR

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
EP-2414108-A2 METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-02-08 EP disclosed
WO-2010112610-A2 METHOD FOR MODIFYING THE SURFACE ENERGY OF A SOLID Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2010-10-07 WO disclosed