SCHEMBL5081853

SCHEMBL5081853

CCCCCCCC[N+](C)(CC#N)CCCCCCCC.Cc1cccc(S(=O)(=O)[O-])c1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.34
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CNR2 P34972 4/20 0.31
CNR1 P21554 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 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
SCHEMBL5884141 0.88 HTT (0.36) KCNH2HTTLMNACYP2D6CYP2C9
SCHEMBL5883908 0.78 HTT (0.34) HTTMEN1KMT2A
SCHEMBL3187406 0.78 DNM1 (0.40) KCNH2HTTLMNACYP2D6CYP2C9
SCHEMBL5080911 0.77 KCNH2 (0.42) KCNH2HTTLMNACYP2D6CYP2C9
SCHEMBL5884144 0.77 KCNH2 (0.53) KCNH2HTTLMNACYP2D6CYP2C9
SCHEMBL4539898 0.77 KCNH2 (0.53) KCNH2HTTLMNACYP2D6CYP2C9
Sulfuric Acid SCHEMBL5078787 0.76 LSS (0.39) HTTLMNAMEN1KMT2A
SCHEMBL9502258 0.75 DNM1 (0.37) KCNH2HTTLMNACYP2D6CYP2C9
SCHEMBL4539901 0.73 KCNH2 (0.42) KCNH2HTTLMNACYP2D6CYP2C9
Phenylmethanesulfonic Acid SCHEMBL5081849 0.72 HTT (0.46) KCNH2HTTLMNAHIF1ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487955-B1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-05-21 EP disclosed
EP-1487955-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS Clariant GmbH (DE) 2004-12-22 EP disclosed
WO-2003078561-A1 AMMONIUM NITRILES AND THE USE THEREOF AS HYDROPHOBIC BLEACHING ACTIVATORS CLARIANT GMBH (DE) 2003-09-25 WO disclosed