SCHEMBL6744860

SCHEMBL6744860

C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.C[n+]1c(Cl)ccc2ccccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.42
POLB P06746 4/20 0.36
KMT2A Q03164 4/20 0.36
BCHE P06276 6/20 0.36
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 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
SCHEMBL4592722 0.89 ACHE (0.49) ACHEPOLBKMT2ABCHEMEN1
Iodide SCHEMBL18497004 0.87 ACHE (0.51) ACHEPOLBKMT2ABCHEMEN1
Hydrochloric Acid SCHEMBL9205826 0.87 ACHE (0.47) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL2824489 0.85 ACHE (0.44) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL34461983 0.85 ACHE (0.44) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL6743438 0.79 CYP2A6 (0.34) ACHEKMT2AMEN1LMNAMAPT
Trifluoromethanesulfonic Acid SCHEMBL31472680 0.79 KCNH2 (0.41) ACHE
Trifluoromethanesulfonic Acid SCHEMBL4497025 0.79 KCNH2 (0.41) ACHE
SCHEMBL11092159 0.72 ACHE (0.35) ACHEPOLBKMT2ABCHEMEN1
SCHEMBL7561304 0.72 ACHE (0.44) ACHEPOLBKMT2ABCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO disclosed