Perchlorate

Perchlorate

SCHEMBL9509765

CN(C)c1ccc(C=C2CCC(=Cc3ccc(N(C)C)cc3)C2)cc1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
APP P05067 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2A13 Q16696 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39

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
Perchlorate SCHEMBL9506200 0.94 CYP1A2 (0.50) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
Perchlorate SCHEMBL9507756 0.87 MAPT (0.51) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8110683 0.82 CYP1A2 (0.59) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8856858 0.82 CYP1A2 (0.59) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
Perchlorate SCHEMBL10337822 0.80 MAPT (0.64) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
Perchlorate SCHEMBL10337600 0.80 CYP1A2 (0.66) CYP1A2MAPTNPC1RAB9ASMN1; SMN2
Perchlorate SCHEMBL9506193 0.77 APAF1 (0.36) MAPTNPC1RAB9ASMN1; SMN2MEN1
Perchlorate SCHEMBL9507765 0.72 ACHE (0.40) CYP1A2MAPTMEN1KMT2ALMNA
Perchlorate SCHEMBL10933584 0.72 APP (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23212947 0.70 MAOB (0.56) CYP1A2MAPTNPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364120-B1 A CYCLOALKENE COMPOUND AND A RECORDING MATERIAL USING THE COMPOUND HODOGAYA CHEMICAL COMPANY, LIMITED (JP) 1993-08-11 EP disclosed
US-4987262-A Absorbers of near infrared radiation, chromogens HODOGAYA CHEMICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0364120-A2 A cycloalkene compound and a recording material using the compound HODOGAYA CHEMICAL COMPANY, LIMITED (JP) 1990-04-18 EP disclosed