SCHEMBL13634236

SCHEMBL13634236

CCCNC(=O)c1cc(CCN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 4/20 0.58
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
MAOB P27338 1/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL13270661 0.90 KMT2A (0.59) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13634373 0.90 KMT2A (0.57) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13634405 0.88 SMN1; SMN2 (0.59) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13634241 0.85 LMNA (0.48) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL2771188 0.83 SIRT6 (0.53) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13270618 0.82 HTR1A (0.54) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13162819 0.80 KMT2A (0.63) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13634404 0.79 LMNA (0.46) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL15888610 0.78 SMN1; SMN2 (0.46) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL13162822 0.78 SMN1; SMN2 (0.46) MEN1KMT2ALMNACYP2C19SMN1; SMN2

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