SCHEMBL28099549

SCHEMBL28099549

CC(C)C(=O)NNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 6/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 4/20 0.56
POLB P06746 4/20 0.56
DDX3X O00571 2/20 0.56
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.51

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
SCHEMBL3207627 0.85 KMT2A (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20984089 0.83 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL10433499 0.81 MEN1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL8599639 0.80 KMT2A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL27818795 0.78 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL16515689 0.78 KMT2A (0.68) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL31185157 0.78 SMN1; SMN2 (0.68) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31064998 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL11135290 0.77 MAPT (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL10692848 0.77 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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
CN-105979950-A Pyrrolotriazine kinase inhibitors 百时美施贵宝公司 2016-09-28 CN disclosed