SCHEMBL438239

SCHEMBL438239

Nc1c(Cl)cnc2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
GRM5 P41594 7/20 0.42
FERMT2 Q96AC1 1/20 0.39
ABL1 P00519 1/20 0.37
BCHE P06276 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
HTR5A P47898 1/20 0.36
NR4A2 P43354 1/20 0.36
SOS2 Q07890 1/20 0.36

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
SCHEMBL439645 0.86 ACHE (0.46) ACHEBCHEGRIN1GRIN2AHTR5A
SCHEMBL9377343 0.81 ACHE (0.45) ACHEGRM5FERMT2
SCHEMBL438932 0.79 ACHE (0.46) ACHEBCHEGRIN1GRIN2ANR4A2
SCHEMBL442268 0.79 ACHE (0.46) ACHEBCHEGRIN1GRIN2A
SCHEMBL439004 0.79 ACHE (0.43) ACHEGRM5FERMT2
SCHEMBL438632 0.78 PARP1 (0.45)
SCHEMBL436602 0.75 ACHE (0.44) ACHENR4A2SOS2
SCHEMBL440277 0.75 ACHE (0.50) ACHEFERMT2BCHE
SCHEMBL442249 0.74 NPC1 (0.41)
SCHEMBL438745 0.73 KEAP1 (0.49) ACHE

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed