Perchlorate

Perchlorate

SCHEMBL7325314

COc1ccc(I)c(CCNCCc2ccccc2)c1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
BCHE P06276 3/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SLC2A1 P11166 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7320887 0.77 MEN1 (0.65) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL7323259 0.76 SMN1; SMN2 (0.56) HTR2AMEN1KMT2AATMMAPT
SCHEMBL7325319 0.76 SLC2A1 (0.41) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL6946739 0.74 MEN1 (0.58) HTR2AMEN1KMT2AATMMTNR1A
SCHEMBL4614753 0.73 MEN1 (0.71) MEN1KMT2AATMBCHEPLAAT3
SCHEMBL9517424 0.72 CHRM2 (0.70) MEN1KMT2ABCHESLC2A1GAA
SCHEMBL8230324 0.72 HTR2A (0.54) HTR2AATMMTNR1AMTNR1BTAAR1
SCHEMBL7503765 0.72 HTR2A (0.59) HTR2AMEN1KMT2AATMMTNR1A
Bromide SCHEMBL9649046 0.71 CHRM2 (0.68) MEN1KMT2ABCHESLC2A1GAA
SCHEMBL10032817 0.71 HTR2A (0.62) HTR2AMEN1KMT2AATMBCHE

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-4661635-A ANTIARRHYTHMIA AGENTS MCNEILAB, INC. (US) 1987-04-28 US disclosed
EP-0146271-A2 Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives McNeilab, Inc. (US) 1985-06-26 EP disclosed