Perchlorate

Perchlorate

SCHEMBL9003254

O=[N+]([O-])c1ccc(C[S+](c2ccccc2)c2ccc(Sc3ccccc3)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
RCE1 Q9Y256 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
PDE7A Q13946 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9003500 0.86 MEN1 (0.39) MEN1KMT2AMAPTCYP2C19CYP1A2
SCHEMBL9003794 0.85 CYP2C19 (0.53) MEN1KMT2AMAPTCYP2C19CYP1A2
SCHEMBL10681251 0.79 CYP2C19 (0.47) MEN1KMT2AMAPTRCE1CYP2C19
SCHEMBL268150 0.77 MEN1 (0.68) MEN1KMT2AMAPTCYP2C19CYP1A2
Perchlorate SCHEMBL9003262 0.74 RCE1 (0.44) MEN1KMT2AMAPTRCE1CYP2C19
SCHEMBL9053517 0.70 PTPRF (0.75) MEN1KMT2AMAPTCYP2C19CYP1A2
SCHEMBL4163474 0.70 MAPT (0.79) MEN1KMT2AMAPTCYP2C19ALDH1A1
SCHEMBL3328543 0.70 MAPT (0.79) MEN1KMT2AMAPTCYP2C19ALDH1A1
SCHEMBL9003797 0.70 CYP2C19 (0.34) MEN1KMT2ACYP2C19CYP1A2ALDH1A1
Phosphonic Acid SCHEMBL11661426 0.70 MEN1 (0.58) MEN1KMT2AMAPTCYP2C19ALDH1A1

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed