SCHEMBL13634405

SCHEMBL13634405

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 7/20 0.58
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAOB P27338 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL13162822 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL15888610 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL13634236 0.88 MEN1 (0.61) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL13270661 0.86 KMT2A (0.59) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL13634242 0.86 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1MAOB
SCHEMBL13270618 0.81 HTR1A (0.54) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL2771188 0.79 SIRT6 (0.53) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL13634373 0.78 KMT2A (0.57) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL13162819 0.76 KMT2A (0.63) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL28677732 0.76 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ALMNACYP2C19

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed