SCHEMBL16587796

SCHEMBL16587796

C[C@@H]1CC(c2ccncc2[N+](=O)[O-])C[C@H](C)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 13/20 0.37
PIM3 Q86V86 13/20 0.37
PIM2 Q9P1W9 13/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL18931645 0.84 PIM2 (0.42) MEN1KMT2APIM1PIM3PIM2
SCHEMBL16588098 0.82 BRS3 (0.36) MEN1KMT2APIM1PIM3PIM2
SCHEMBL793501 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902749 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902763 0.77 MEN1 (0.34) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902757 0.77 MEN1 (0.34) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902765 0.77 MEN1 (0.34) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902758 0.77 MEN1 (0.34) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902747 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL1911116 0.73 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA

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-8987457-B2 Ring-substituted N-pyridinyl amides as kinase inhibitors NOVARTIS AG (CH) 2015-03-24 US disclosed