SCHEMBL19791097

SCHEMBL19791097

NC1=NC(c2cccc(-c3cncnc3)c2)CCS1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.52
ATM Q13315 1/20 0.34
KCNH2 Q12809 4/20 0.34
DHFR P00374 2/20 0.34
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CYP2A6 P11509 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
PSIP1 O75475 1/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 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
SCHEMBL19791302 0.80 BACE1 (0.43) BACE1BACE2
SCHEMBL19791259 0.79 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL19791144 0.77 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL17260317 0.76 BACE1 (0.72) BACE1ATMKCNH2DHFR
SCHEMBL15839677 0.76 BACE1 (0.72) BACE1ATMKCNH2DHFR
SCHEMBL15839682 0.75 BACE1 (0.58) BACE1KCNH2DHFRCTSDBACE2
SCHEMBL17260330 0.75 BACE1 (0.58) BACE1KCNH2DHFRCTSDBACE2
SCHEMBL19791307 0.75 BACE1 (0.37) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL9054384 0.74 NOS2 (0.51) BACE1KCNH2
SCHEMBL15826169 0.73 BACE1 (0.68) BACE1CYP2A6MEN1PSIP1AXL

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
EP-2935256-B1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2018-01-24 EP disclosed