SCHEMBL439645

SCHEMBL439645

Nc1c(Cl)cnc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
BCHE P06276 5/20 0.46
GRIN1 Q05586 5/20 0.46
GRIN2A Q12879 5/20 0.46
HTR5A P47898 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
MAP4K4 O95819 3/20 0.39
BACE1 P56817 1/20 0.38
TNF P01375 1/20 0.37
CYP1A2 P05177 1/20 0.36
METAP2 P50579 1/20 0.36
NR4A2 P43354 1/20 0.36
AXL P30530 1/20 0.36
GFER P55789 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
SCHEMBL438239 0.86 ACHE (0.46) ACHEBCHEGRIN1GRIN2AHTR5A
SCHEMBL439464 0.81 NR4A2 (0.55) ACHEBCHEGRIN1GRIN2APARP1
SCHEMBL10385174 0.81 BCHE (0.45) ACHEBCHEGRIN1GRIN2APARP1
SCHEMBL439853 0.79 BCHE (0.43) ACHEBCHEGRIN1GRIN2APARP1
SCHEMBL442137 0.79 HTT (0.49) ACHEBCHEGRIN1GRIN2ALMNA
SCHEMBL440082 0.79 LMNA (0.47) ACHEBCHEGRIN1GRIN2APARP1
SCHEMBL1035213 0.79 PARP1 (0.41) HTR5APARP1LMNATNF
SCHEMBL439770 0.78 BACE1 (0.42) MAP4K4BACE1CYP1A2AXL
SCHEMBL436602 0.75 ACHE (0.44) ACHENR4A2
SCHEMBL5747612 0.75 LMNA (0.39) HTR5APARP1LMNATNF

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