SCHEMBL319533

SCHEMBL319533

CC1OC(c2ccncc2[N+](=O)[O-])C(C)C(O)C1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.33
GPR35 Q9HC97 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL1910661 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1910662 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14902673 0.85 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL14902674 0.85 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1911109 0.81 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1911105 0.81 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14902702 0.79 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1910649 0.76 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL327657 0.76 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1911116 0.75 MEN1 (0.36) KMT2AMEN1ALDH1A1MAPTHTT

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
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed