SCHEMBL438613

SCHEMBL438613

Nc1c(Br)cnc2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
GRIN1 Q05586 5/20 0.45
GRIN2A Q12879 5/20 0.45
HTT P42858 5/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
AKT1 P31749 1/20 0.43
FLT3 P36888 1/20 0.43
PIM3 Q86V86 1/20 0.43
LMNA P02545 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL437952 0.85 ACHE (0.45) ACHEHTTBACE1PDPK1JAK2
SCHEMBL16224287 0.85 BCHE (0.45) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL442137 0.81 HTT (0.49) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL439853 0.81 BCHE (0.43) BCHEACHEGRIN1GRIN2ALMNA
SCHEMBL442244 0.81 ACHE (0.43) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL437551 0.81 NR4A2 (0.51) BCHEACHEGRIN1GRIN2AGABRA1
SCHEMBL28317272 0.79 HTT (0.43) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL1557613 0.78 TNF (0.42) BCHEACHEGRIN1GRIN2AHTT
SCHEMBL439366 0.78 ALDH1A1 (0.46) HTTLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL439635 0.78 APP (0.48) BCHEACHEGRIN1GRIN2ALMNA

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