SCHEMBL13634247

SCHEMBL13634247

CCCN(C)Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TRPV1 Q8NER1 7/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43

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
SCHEMBL13162750 0.91 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1CYP11B1CYP11B2
SCHEMBL13638900 0.77 BRAF (0.54) TRPV1POLBCYP11B2NAMPTMAPT
SCHEMBL13163949 0.77 CCNE2 (0.49) SMN1; SMN2TRPV1POLBALDH1A1CYP11B1
SCHEMBL13161892 0.77 SMN1; SMN2 (0.56) SMN1; SMN2POLBALDH1A1CYP11B1CYP11B2
SCHEMBL13163901 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP11B1CYP11B2KMT2A
SCHEMBL13634152 0.76 SIRT6 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNAMAPT
SCHEMBL13162040 0.75 BRAF (0.54) SMN1; SMN2POLBALDH1A1CYP11B2NAMPT
SCHEMBL13163083 0.75 MAPT (0.60) SMN1; SMN2POLBALDH1A1KMT2AMAPT
SCHEMBL13162752 0.74 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KMT2ALMNAMAPT
SCHEMBL13634274 0.73 ALDH1A1 (0.50) POLBALDH1A1KMT2ALMNAMAPT

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