SCHEMBL4444969

SCHEMBL4444969

CC(C)(C)OC(=O)N(c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 4/20 0.40
HCAR3 P49019 5/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
CES2 O00748 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
SCHEMBL4439398 0.89 KDM4E (0.40) VCAM1KDM4EGLAMAPK1HCAR3
SCHEMBL4437157 0.88 HCAR3 (0.39) VCAM1KDM4EGLAMAPK1HCAR3
SCHEMBL4434940 0.87 MEN1 (0.39) VCAM1KDM4EGLAHCAR3MAPT
SCHEMBL4438391 0.85 KMT2A (0.36) KDM4EMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL4434449 0.84 MAPK1 (0.40) MAPK1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL4433895 0.84 KDM4E (0.39) KDM4EHCAR3SLC6A2SLC6A4LMNA
SCHEMBL4444516 0.83 MAPK1 (0.40) MAPK1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL4434450 0.83 TACR1 (0.38) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL4437504 0.82 MAPT (0.45) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL4439400 0.82 POLB (0.40) KDM4EMAPK1MAPTLMNAALDH1A1

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-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed