SCHEMBL440082

SCHEMBL440082

Cc1ccc2ncc(Cl)c(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ACHE P22303 6/20 0.46
BCHE P06276 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
TNF P01375 3/20 0.45
PARP1 P09874 1/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
HIF1A Q16665 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL442268 0.86 ACHE (0.46) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL1026768 0.86 ACHE (0.40) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL9380208 0.81 LMNA (0.50) LMNATNFPARP1HTR1AADRA1D
SCHEMBL439464 0.81 NR4A2 (0.55) ACHEBCHEGRIN1GRIN2APARP1
SCHEMBL442244 0.79 ACHE (0.43) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL439645 0.79 ACHE (0.46) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL442137 0.79 HTT (0.49) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL440060 0.78 BCHE (0.50) LMNAACHEBCHEGRIN1GRIN2A
SCHEMBL436589 0.78 ALDH1A1 (0.46) LMNASMN1; SMN2POLBHTTHIF1A
SCHEMBL26199339 0.78 PARP1 (0.43) LMNAACHEBCHEGRIN1GRIN2A

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