SCHEMBL12445827

SCHEMBL12445827

CN1C(=S)CC(C)(c2cccc(NC(=O)c3cc4ccccc4s3)c2)N=C1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.52
TMIGD3 P0DMS9 2/20 0.43
ADORA1 P30542 2/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
APP P05067 1/20 0.43
ADORA2A P29274 1/20 0.43
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41

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
SCHEMBL7940243 0.90 BACE1 (0.65) BACE1APP
SCHEMBL298743 0.90 BACE1 (0.65) BACE1APP
SCHEMBL7942113 0.78 BACE1 (0.63) BACE1
SCHEMBL10155333 0.77 BACE1 (0.78) BACE1APP
SCHEMBL7944502 0.77 BACE1 (0.51) BACE1TMIGD3ADORA1STAT1CASP3
SCHEMBL7944186 0.76 BACE1 (0.56) BACE1APP
SCHEMBL7940631 0.76 BACE1 (0.66) BACE1
SCHEMBL297557 0.76 BACE1 (0.66) BACE1
SCHEMBL7942310 0.76 BACE1 (0.66) BACE1
SCHEMBL7944392 0.75 BACE1 (0.65) BACE1APP

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-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP disclosed