SCHEMBL13638875

SCHEMBL13638875

CCN(CC)Cc1ccc(N=O)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20961917 0.82 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL13638852 0.78 HRH3 (0.44) HRH3HDAC8HDAC6ACHEKDM4E
SCHEMBL917999 0.78 CDK1 (0.56) HRH3HDAC8HDAC6ACHEKDM4E
SCHEMBL13638842 0.75 GRM2 (0.39) ACHEMAPTBCHE
SCHEMBL13638747 0.72 HRH3 (0.40) HRH3ALDH1A1KMT2A
SCHEMBL2043393 0.70 HRH3 (0.61) HRH3HDAC8HDAC6ACHEALDH1A1
SCHEMBL13609382 0.70 SRC (0.46) KDM4EALDH1A1POLBMAPTTHRB
SCHEMBL5583454 0.68 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1MAPTTHRB
Hydrochloric Acid SCHEMBL3633618 0.68 ALDH1A1 (0.40) HRH3HDAC8HDAC6ACHEMEN1
SCHEMBL13638748 0.68 ADORA2A (0.35) HDAC6ACHE

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed