SCHEMBL13638834

SCHEMBL13638834

O=Cc1cc(CCN2CCCC2)ccc1N=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
HRH3 Q9Y5N1 9/20 0.47
SIGMAR1 Q99720 5/20 0.47
SLC6A3 Q01959 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL13638959 0.88 SIGMAR1 (0.52) L3MBTL3HRH3SIGMAR1CYP1A2KCNJ1
SCHEMBL28135835 0.77 HRH3 (0.49) L3MBTL1MBTD1L3MBTL3HRH3SIGMAR1
SCHEMBL13638957 0.74 HRH3 (0.49) HRH3KCNJ1
SCHEMBL1958869 0.74 SIGMAR1 (0.50) L3MBTL1MBTD1L3MBTL3HRH3SIGMAR1
SCHEMBL13638857 0.72 ALDH1A1 (0.47) L3MBTL1HRH3
SCHEMBL20961917 0.72 ALDH1A1 (0.40) L3MBTL1CYP1A2
SCHEMBL28628177 0.72 HRH3 (0.61) L3MBTL1MBTD1L3MBTL3HRH3SIGMAR1
SCHEMBL13959545 0.70 HRH3 (0.65) L3MBTL1MBTD1L3MBTL3HRH3SIGMAR1
SCHEMBL17538318 0.70 HRH3 (0.59) L3MBTL1MBTD1L3MBTL3HRH3SIGMAR1
SCHEMBL13638971 0.70 SIGMAR1 (0.43) SIGMAR1

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