SCHEMBL7940159

SCHEMBL7940159

Bc1ccc2c(c1)C1(CCO2)CCSC(N)=N1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.34
APP P05067 7/20 0.34
CTSD P07339 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE2 Q9Y5Z0 4/20 0.32

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
SCHEMBL12565340 0.85 BACE1 (0.48) BACE1APPCTSDMAPTBACE2
SCHEMBL1992787 0.85 BACE1 (0.48) BACE1
SCHEMBL1996400 0.81 BACE1 (0.42) BACE1APPCTSD
SCHEMBL1996985 0.80 BACE1 (0.56) BACE1APPCTSDNPC1MAPT
SCHEMBL1992797 0.80 BACE1 (0.38) BACE1CTSDNPC1MAPTRAB9A
SCHEMBL1990774 0.77 KDM1A (0.42) BACE1APPCTSDBACE2
SCHEMBL7940629 0.77 BACE1 (0.51) BACE1APPCTSDMAPTBACE2
SCHEMBL1995980 0.75 BACE1 (0.46) BACE1APPCTSDBACE2
SCHEMBL1991931 0.75 BACE1 (0.53) BACE1CTSD
SCHEMBL7941101 0.75 BACE1 (0.46) BACE1APPBACE2

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-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 WO disclosed