SCHEMBL7544937

SCHEMBL7544937

CN(C)C(=Cc1ccccc1)c1cccc[n+]1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 2/20 0.35
HRH1 P35367 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC8 Q9BY41 4/20 0.34
ALDH1A1 P00352 2/20 0.34
AKR1C3 P42330 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
FBP1 P09467 1/20 0.32
RELA Q04206 1/20 0.31

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
Iodide SCHEMBL3807575 0.98 CHAT (0.37) CHATTSHRACHEHRH1PDE4D
SCHEMBL7908969 0.83 PTGS2 (0.41) ALDH1A1AKR1C3KDM4ESMN1; SMN2MAPT
SCHEMBL17911707 0.80 MEN1 (0.40) TSHRALDH1A1AKR1C3KDM4ESMN1; SMN2
Iodide SCHEMBL5229857 0.78 MEN1 (0.42) CHATTSHRALDH1A1AKR1C3KDM4E
SCHEMBL8745629 0.75 MEN1 (0.36) TSHRALDH1A1AKR1C3KDM1AMAPT
Iodide SCHEMBL8072633 0.74 MEN1 (0.35) TSHRALDH1A1AKR1C3SMN1; SMN2KDM1A
SCHEMBL2845203 0.72 AKR1C1 (0.45) TSHRALDH1A1AKR1C3MAPT
SCHEMBL7904469 0.72 ESR1 (0.45) TSHRALDH1A1AKR1C3SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL10347945 0.72 TSHR (0.44) CHATTSHRACHEHRH1PDE4D
Iodide SCHEMBL7120383 0.71 ACHE (0.49) ACHEALDH1A1KDM4ESMN1; SMN2MAPT

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
EP-1210596-A2 METHODS FOR ASSAYING SUBCELLULAR CONDITIONS USING ENERGY TRANSFER MITOKOR (US) 2002-06-05 EP disclosed
WO-2000079274-A2 METHODS FOR ASSAYING SUBCELLULAR CONDITIONS USING ENERGY TRANSFER MITOKOR (US) 2000-12-28 WO disclosed