SCHEMBL28829630

SCHEMBL28829630

NCCC(=O)Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 3/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4652737 0.78 MAPT (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6675030 0.77 MEN1 (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6973377 0.76 LMNA (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL19124186 0.75 MAPT (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2221711 0.75 MAPT (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL16115326 0.75 MAPT (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6974150 0.75 L3MBTL1 (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10420552 0.73 PDK1 (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL16174698 0.73 MAPT (0.40) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12824738 0.73 L3MBTL1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1

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-102596957-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2016-06-29 CN disclosed