SCHEMBL13638956

SCHEMBL13638956

N#Cc1ccc(N=O)c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.62
CYP11B1 P15538 2/20 0.62
BRAF P15056 1/20 0.55
SGMS2 Q8NHU3 2/20 0.53
PPARG P37231 2/20 0.53
LRRK2 Q5S007 1/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 2/20 0.48
KCNMA1 Q12791 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
SORT1 Q99523 1/20 0.46
NAMPT P43490 2/20 0.46

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
SCHEMBL21056024 0.83 PPARG (0.72) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL21056019 0.83 GRM5 (0.67) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL13162545 0.83 CYP11B2 (0.64) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL13162335 0.83 BRAF (0.76) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL8611362 0.81 CYP11B2 (0.67) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL12079459 0.81 CYP11B2 (0.68) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL13163088 0.79 CYP11B1 (0.59) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL13638804 0.79 RAB9A (0.62) BRAFSGMS2LRRK2KDM4EMEN1
SCHEMBL31171360 0.77 CYP11B2 (0.61) CYP11B2CYP11B1BRAFSGMS2PPARG
SCHEMBL15847396 0.76 BRAF (0.77) CYP11B2CYP11B1BRAFSGMS2ALDH1A1

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