SCHEMBL29699134

SCHEMBL29699134

CCOC(=O)c1ccc2c(c1)nnn2COCC[Si](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HCAR3 P49019 7/20 0.53
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAMPT P43490 1/20 0.42
PDE2A O00408 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL24494650 1.00 MAPT (0.54) MAPTHCAR3NPC1LMNARAB9A
SCHEMBL6737339 0.91 RAB9A (0.45) MAPTHCAR3NPC1LMNARAB9A
SCHEMBL3434113 0.82 MAPT (0.73) MAPTHCAR3NPC1LMNARAB9A
SCHEMBL28753181 0.80 RAB9A (0.41) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL29627173 0.80 RAB9A (0.41) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL31377132 0.80 LMNA (0.44) MAPTHCAR3NPC1LMNARAB9A
SCHEMBL31666996 0.80 POLB (0.41) MAPTHCAR3NPC1LMNARAB9A
SCHEMBL6733449 0.76 HCAR3 (0.39) MAPTHCAR3NPC1NAMPT
SCHEMBL29974610 0.76 HCAR3 (0.51) HCAR3NPC1LMNA
SCHEMBL23193770 0.76 HCAR3 (0.51) HCAR3NPC1LMNA

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-2022116998-A1 FUSED HETEROCYCLIC DERIVATIVES AS HBV INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2022-06-09 WO disclosed