SCHEMBL14067719

SCHEMBL14067719

C=C(O)C1(C)CCCN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
HTT P42858 4/20 0.46
POLB P06746 3/20 0.38
ALDH1A1 P00352 8/20 0.37
MAPK1 P28482 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MITF O75030 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33

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
SCHEMBL4437158 0.90 MAPT (0.44) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL4432077 0.84 MAPT (0.46) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL4443596 0.76 MAPT (0.44) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL9425659 0.76 MAPT (0.67) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL1710516 0.75 MAPT (0.65) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL4563218 0.74 MAPT (0.40) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL16702811 0.73 LATS1 (0.49) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL31302472 0.73 MAPT (0.39) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL16505318 0.71 MAPT (0.50) MAPTHTTPOLBALDH1A1MAPK1
SCHEMBL16505317 0.71 MAPT (0.50) MAPTHTTPOLBALDH1A1MAPK1

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-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed