SCHEMBL5883908

SCHEMBL5883908

CC(C)c1ccccc1S(=O)(=O)[O-].CCCCCCCC[N+](C)(CC#N)CCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.84 HTT (0.36) HTTMEN1KMT2A
SCHEMBL5080911 0.80 KCNH2 (0.42) HTTMEN1KMT2A
SCHEMBL4891799 0.80 NR1I2 (0.47) HTT
SCHEMBL5883912 0.80 NR1I2 (0.47) HTT
SCHEMBL5081853 0.78 KCNH2 (0.34) HTTMEN1KMT2A
Phenylmethanesulfonic Acid SCHEMBL5081849 0.76 HTT (0.46) HTTMEN1KMT2A
SCHEMBL5884144 0.75 KCNH2 (0.53) HTT
SCHEMBL4539898 0.75 KCNH2 (0.53) HTT
Tetramethylammonium Ion SCHEMBL7046618 0.75 HSD11B1 (0.44) MEN1KMT2A
Sulfuric Acid SCHEMBL5078787 0.74 LSS (0.39) HTTMEN1KMT2A

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-7015185-B2 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT GMBH (DE) 2006-03-21 US disclosed
US-20040266644-A1 Ammonium nitriles and the use thereof as hydrophobic bleaching activators CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2004-12-30 US disclosed