SCHEMBL8018666

SCHEMBL8018666

CO[N+](=O)c1cccc([C@]23CCCC[C@H]2CSC(N)=N3)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.43
KCNH2 Q12809 3/20 0.38
BACE2 Q9Y5Z0 2/20 0.36

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
SCHEMBL2622795 0.86 BACE1 (0.43) BACE1KCNH2BACE2
SCHEMBL3838920 0.86 BACE1 (0.43) BACE1KCNH2BACE2
SCHEMBL8034243 0.82 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL15171505 0.80 BACE1 (0.47) BACE1KCNH2BACE2
SCHEMBL8028227 0.79 BACE1 (0.35) BACE1
SCHEMBL8018670 0.79 BACE1 (0.35) BACE1
SCHEMBL18192848 0.78 BACE1 (0.47) BACE1KCNH2BACE2
SCHEMBL6878180 0.74 BACE1 (0.43) BACE1KCNH2BACE2
Hydrochloric Acid SCHEMBL970885 0.73 BACE1 (0.43) BACE1KCNH2BACE2
SCHEMBL950688 0.70 BACE1 (0.44) BACE1KCNH2BACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed