SCHEMBL441668

SCHEMBL441668

COc1cc(Cl)cc2c(N)c(Cl)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PDE5A O76074 1/20 0.40
TNF P01375 1/20 0.39
LITAF Q99732 1/20 0.39
G6PD P11413 1/20 0.37
NPC1 O15118 1/20 0.37
DYRK1A Q13627 1/20 0.35
PDPK1 O15530 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
AURKA O14965 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL436963 0.84 PDE5A (0.38) GAAPDE5ATNFLITAFG6PD
SCHEMBL440869 0.79 BCHE (0.46) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL439580 0.78 BCHE (0.40) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL436008 0.77 HTR1A (0.44) G6PDALDH1A1KDM4E
SCHEMBL440283 0.72 DYRK1A (0.39) GAAG6PDNPC1DYRK1APDPK1
SCHEMBL19889980 0.71 SRC (0.47) SRC
SCHEMBL8709585 0.70 GAA (0.48) GAAG6PDNPC1ALDH1A1MAPT
SCHEMBL441217 0.69 KDM4E (0.36) GAABCHEACHEGRIN1GRIN2A
SCHEMBL4401042 0.69 GAA (0.48) GAANPC1DYRK1AALDH1A1MAPT
SCHEMBL439519 0.69 DYRK1A (0.39) GAAG6PDNPC1DYRK1APDPK1

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