SCHEMBL115915

SCHEMBL115915

CCCCCCCCCCCCCc1cccc([N+]#N)c1S(=O)(=O)NCCCCCCCCF

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
BID P55957 3/20 0.33

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
SCHEMBL1492488 0.97 RECQL (0.38) RECQLMEN1TSHRKMT2ATP53
SCHEMBL534942 0.77 RECQL (0.59) RECQLMEN1TSHRKMT2ATP53
SCHEMBL3766085 0.71 BID (0.33) TDP1BIDMCL1BCL2L1BAK1
SCHEMBL534805 0.70 CYP3A4 (0.44) RECQLMEN1TSHRKMT2ATP53
SCHEMBL6287955 0.69 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8
Hydrochloric Acid SCHEMBL3244587 0.68 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL23716806 0.68 RECQL (0.67) RECQLMEN1TSHRKMT2ATP53
SCHEMBL6409297 0.67 LIPG (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29015821 0.67 LIPG (0.58) MEN1TSHRKMT2ATP53CYP3A4
SCHEMBL15397907 0.67 HTR2A (0.44) TP53CYP3A4ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2425039-A2 METHOD FOR PREPARING A METALLISED SUBSTRATE, THE RESULTING SUBSTRATE AND THE USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-03-07 EP claimed
WO-2010125189-A2 METHOD FOR PREPARING A METALLISED SUBSTRATE, THE RESULTING SUBSTRATE AND THE USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2010-11-04 WO claimed
EP-2588220-A1 MATERIAL INCLUDING GRAFTED NANOTUBES OR NANOWIRES IN A MATRIX, METHOD FOR PREPARING SAME AND USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-05-08 EP disclosed
EP-2446002-A1 METHOD FOR PREPARING A LUBRICATING FILM, RESULTING SOLID MEDIUM, AND PREPARATION KIT Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-05-02 EP disclosed
EP-2425039-A2 METHOD FOR PREPARING A METALLISED SUBSTRATE, THE RESULTING SUBSTRATE AND THE USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-03-07 EP disclosed
WO-2012001177-A1 MATERIAL INCLUDING GRAFTED NANOTUBES OR NANOWIRES IN A MATRIX, METHOD FOR PREPARING SAME AND USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-01-05 WO disclosed
WO-2010149719-A1 METHOD FOR PREPARING A LUBRICATING FILM, RESULTING SOLID MEDIUM, AND PREPARATION KIT Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2010-12-29 WO disclosed
WO-2010125189-A2 METHOD FOR PREPARING A METALLISED SUBSTRATE, THE RESULTING SUBSTRATE AND THE USES THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2010-11-04 WO disclosed