SCHEMBL3700140

SCHEMBL3700140

O=C(O)NC1=NCC2COCC2(c2ccc(F)c(-c3cncnc3)c2)S1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
BACE1 P56817 2/20 0.31
REN P00797 1/20 0.31
CTSD P07339 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
STING1 Q86WV6 1/20 0.30

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
SCHEMBL933095 0.88 BACE1 (0.35) ABL1BACE1RENCTSDBACE2
SCHEMBL932343 0.85 BACE1 (0.37) ABL1BACE1BACE2STING1
SCHEMBL932453 0.82 BACE1 (0.36) BACE1RENCTSDBACE2
SCHEMBL932068 0.82 BACE1 (0.36) BACE1RENCTSDBACE2
Hydrochloric Acid SCHEMBL934082 0.81 BACE1 (0.36) BACE1RENCTSDBACE2
SCHEMBL933031 0.80 BACE1 (0.36) BACE1CTSDBACE2
SCHEMBL12694657 0.79 BACE1 (0.41) ABL1BACE1RENCTSDBACE2
SCHEMBL4313717 0.71 BACE1 (0.36) ABL1BACE1RENCTSDBACE2
SCHEMBL3696178 0.71 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL933126 0.71 KCNH2 (0.35) ABL1BACE1BACE2

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-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed