Perchlorate

Perchlorate

SCHEMBL4656868

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccco2)cc1.[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
TDP1 Q9NUW8 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
THRB P10828 4/20 0.63
MAPK1 P28482 4/20 0.63
HTT P42858 4/20 0.63
HIF1A Q16665 3/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 3/20 0.63
ALOX12 P18054 2/20 0.63
RECQL P46063 2/20 0.63
BLM P54132 2/20 0.63
CYP2D6 P10635 2/20 0.63
KDM4E B2RXH2 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
USP2 O75604 1/20 0.63
EGFR P00533 1/20 0.63
F2 P00734 1/20 0.63

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
SCHEMBL4656427 0.95 MAPT (0.69) MAPTMEN1KMT2ATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL4655654 0.94 MAPT (0.72) MAPTMEN1KMT2ATDP1SMN1; SMN2
Bromide SCHEMBL4655670 0.94 MAPT (0.68) MAPTMEN1KMT2ATDP1SMN1; SMN2
Hexamethyl Pararosaniline SCHEMBL94116 0.80 TDP1 (0.96) MAPTMEN1KMT2ATDP1SMN1; SMN2
Hexamethyl Pararosaniline SCHEMBL9171 0.79 TDP1 (1.00) MAPTMEN1KMT2ATDP1SMN1; SMN2
Perchlorate SCHEMBL4655875 0.79 MAPT (0.76) MAPTMEN1KMT2ATDP1SMN1; SMN2
Brilliant Green SCHEMBL171205 0.78 TDP1 (0.84) MAPTMEN1KMT2ATDP1SMN1; SMN2
Perchlorate SCHEMBL4657954 0.78 MAPT (0.74) MAPTMEN1KMT2ATDP1SMN1; SMN2
Brilliant Green SCHEMBL28216 0.76 TDP1 (0.88) MAPTMEN1KMT2ATDP1SMN1; SMN2
Perchlorate SCHEMBL4655673 0.76 KMT2A (0.67) MAPTMEN1KMT2ATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435227-B1 Composition for the dyeing of keratinous fibres comprising a direct dye of the monoheteroyldiarylmethane type or a leuco precursor thereof and a dyeing process using it OREAL (FR) 2008-12-03 EP claimed