SCHEMBL3766087

SCHEMBL3766087

CCCCCCCCCCCCCC(F)(CCCCCCC)NS(=O)(=O)c1ccccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.31
KCNH2 Q12809 6/20 0.30
KAT6A Q92794 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
Nitrogen SCHEMBL1492487 0.78 ALDH1A1 (0.39) CA12CA9L3MBTL1MEN1TSHR
Nitrogen SCHEMBL115914 0.75 ALDH1A1 (0.43) L3MBTL1MEN1TSHRKMT2ATDP1
SCHEMBL534941 0.74 ALDH1A1 (0.44) L3MBTL1MEN1TSHRKMT2ATDP1
SCHEMBL534803 0.72 TDP1 (0.38) RECQLCA12CA9TSHRKMT2A
SCHEMBL3766082 0.72 TDP1 (0.33) RECQLCA12CA9KMT2ATDP1
SCHEMBL534805 0.69 CYP3A4 (0.44) RECQLCA12CA9L3MBTL1MEN1
SCHEMBL5573340 0.65 LIPG (0.39) L3MBTL1CYP3A4TSHRTDP1
SCHEMBL1492486 0.64 MCHR1 (0.33) TP53TDP1CNR2KCNH2
Lithium Ion SCHEMBL15647688 0.63 PKLR (0.30)
SCHEMBL1278954 0.62 ALDH1A1 (0.54) RECQLL3MBTL1TSHRKMT2ATDP1

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-20100310800-A1 PROCESS FOR PREPARING A METALLIZED SUBSTRATE, SAID SUBSTRATE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-12-09 US claimed
US-20100310800-A1 PROCESS FOR PREPARING A METALLIZED SUBSTRATE, SAID SUBSTRATE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-12-09 US disclosed