Perchlorate

Perchlorate

SCHEMBL9506200

CN(C)c1ccc(C=C2CCCC(=Cc3ccc(N(C)C)cc3)C2)cc1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
APP P05067 2/20 0.39
MAPK1 P28482 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
Perchlorate SCHEMBL9509765 0.94 CYP1A2 (0.45) CYP1A2KMT2AMAPTMEN1ALDH1A1
Perchlorate SCHEMBL9507756 0.90 MAPT (0.51) CYP1A2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8110683 0.90 CYP1A2 (0.59) CYP1A2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8856858 0.90 CYP1A2 (0.59) CYP1A2KMT2AMAPTMEN1ALDH1A1
Perchlorate SCHEMBL10337600 0.84 CYP1A2 (0.66) CYP1A2KMT2AMAPTMEN1ALDH1A1
Perchlorate SCHEMBL10337822 0.81 MAPT (0.64) CYP1A2KMT2AMAPTMEN1ALDH1A1
Perchlorate SCHEMBL9507765 0.79 ACHE (0.40) CYP1A2KMT2AMAPTMEN1ALDH1A1
Perchlorate SCHEMBL9506193 0.72 APAF1 (0.36) KMT2AMAPTMEN1ALDH1A1LMNA
Perchlorate SCHEMBL10933584 0.69 APP (0.55) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL23212947 0.68 MAOB (0.56) CYP1A2KMT2AMAPTMEN1ALDH1A1

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