SCHEMBL3766085

SCHEMBL3766085

CCCCCCCCCCCCCc1cccc([N+]#N)c1S(=O)(=O)N(F)CCCCCCCC.F[B-](F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
PPARA Q07869 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 2/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
SERPINE1 P05121 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KCNH2 Q12809 6/20 0.32
TDP1 Q9NUW8 1/20 0.32
MCHR1 Q99705 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 0.82 MCHR1 (0.33) SERPINE1KCNH2TDP1MCHR1
SCHEMBL534803 0.80 TDP1 (0.38) SERPINE1KCNH2TDP1MCHR1
SCHEMBL115913 0.78 MCHR1 (0.35) PPARAPPARGSERPINE1KCNH2TDP1
SCHEMBL1492488 0.75 RECQL (0.38) BIDMCL1PPARABCL2L1BAK1
SCHEMBL534940 0.73 LIPG (0.43) BIDMCL1PPARABCL2L1BAK1
SCHEMBL115915 0.71 RECQL (0.40) BIDMCL1PPARABCL2L1BAK1
SCHEMBL5573340 0.69 LIPG (0.39) LIPGTDP1
SCHEMBL6287955 0.69 LIPG (0.53) BIDMCL1PPARABCL2L1BAK1
Hydrochloric Acid SCHEMBL3244587 0.68 LIPG (0.51) BIDMCL1PPARABCL2L1BAK1
SCHEMBL6409297 0.67 LIPG (0.50) BIDMCL1PPARABCL2L1BAK1

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