SCHEMBL13638959

SCHEMBL13638959

O=Cc1cc(CCN2CCOCC2)ccc1N=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.52
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 2/20 0.40
ERN1 O75460 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL13638957 0.88 HRH3 (0.49) KCNJ1ERN1HRH3
SCHEMBL13638834 0.88 L3MBTL1 (0.49) SIGMAR1KCNJ1KCNH2L3MBTL3HRH3
SCHEMBL13889918 0.74 SIGMAR1 (0.40) SIGMAR1POLBLTA4H
SCHEMBL13662563 0.74 SIGMAR1 (0.55) SIGMAR1KCNJ1KCNH2L3MBTL3HRH3
SCHEMBL6222223 0.74 SIGMAR1 (0.55) SIGMAR1KCNJ1KCNH2L3MBTL3HRH3
SCHEMBL6224362 0.73 SIGMAR1 (0.55) SIGMAR1HRH3POLB
SCHEMBL13638752 0.73 GRM2 (0.43) KCNH2
SCHEMBL13638739 0.72 GRM2 (0.42) KCNJ1ERN1MEN1KMT2A
SCHEMBL19603341 0.70 ERN1 (0.51) ERN1HRH3POLB
SCHEMBL13638749 0.69 KMT2A (0.54) HRH3POLBCYP2D6KMT2A

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