SCHEMBL15314698

SCHEMBL15314698

CN1c2ccccc2C(I)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ACHE P22303 5/20 0.48
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAOA P21397 1/20 0.44
GPR3 P46089 1/20 0.42
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL22879456 0.83 TTR (0.50) HDAC4HDAC7HDAC5LRRK2MEN1
SCHEMBL3797401 0.82 HDAC4 (0.52) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL29925103 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL1105797 0.80 HDAC4 (0.50) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL20094217 0.80 HDAC4 (0.55) HDAC4HDAC7HDAC5ACHEHTR2A
Iodide SCHEMBL28367716 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL17187194 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL13068847 0.78 HDAC4 (0.48) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL23052917 0.76 ACHE (0.50) HDAC4HDAC7HDAC5ACHEHTR2A
SCHEMBL12591779 0.76 HRH1 (0.53) HDAC4HDAC7HDAC5ACHEHTR2A

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
EP-2303833-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2013-10-16 EP disclosed