Perchlorate

Perchlorate

SCHEMBL9507756

CN(C)c1ccc(C=C2CCCC2)cc1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 2/20 0.49
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
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
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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 0.90 CYP1A2 (0.50) MAPTNPC1RAB9ASMN1; SMN2HPGD
Perchlorate SCHEMBL9509765 0.87 CYP1A2 (0.45) MAPTNPC1RAB9ASMN1; SMN2HPGD
Perchlorate SCHEMBL10337822 0.87 MAPT (0.64) MAPTNPC1RAB9ASMN1; SMN2HPGD
Perchlorate SCHEMBL10337600 0.83 CYP1A2 (0.66) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8110683 0.79 CYP1A2 (0.59) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8856858 0.79 CYP1A2 (0.59) MAPTNPC1RAB9ASMN1; SMN2HPGD
Perchlorate SCHEMBL10933584 0.72 APP (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1
Fumaric Acid SCHEMBL9249668 0.71 HSD17B3 (0.47) MAPTNPC1RAB9ASMN1; SMN2HPGD
Fumaric Acid SCHEMBL9249683 0.71 HSD17B3 (0.47) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL21647269 0.70 ALDH1A1 (0.55) MAPTNPC1RAB9ASMN1; SMN2HPGD

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