SCHEMBL4434895

SCHEMBL4434895

CC(C)(C)OC(=O)N(c1ccc(Cl)cc1[N+](=O)[O-])C1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
AHCY P23526 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4434892 0.89 MCOLN3 (0.35) LMNAMAPTHTTALDH1A1KMT2A
SCHEMBL4444516 0.88 MAPK1 (0.40) MAPK1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4445379 0.88 RPLP1 (0.38) MAPK1LMNASMN1; SMN2MAPTHTT
SCHEMBL4444773 0.88 HTT (0.38) LMNASMN1; SMN2MAPTHTTKMT2A
SCHEMBL5262268 0.88 MAPT (0.40) MAPK1LMNASLC6A4SMN1; SMN2MAPT
SCHEMBL4445337 0.88 MAPT (0.40) MAPK1LMNASLC6A4SMN1; SMN2MAPT
SCHEMBL4436446 0.87 JAK2 (0.37) LMNAMAPTHTTNOS1NOS2
SCHEMBL4439944 0.86 KMT2A (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2HTT
SCHEMBL4436874 0.86 HTT (0.37) LMNASMN1; SMN2MAPTHTTKMT2A
SCHEMBL4439398 0.84 KDM4E (0.40) MAPK1LMNASLC6A2SLC6A4SLC6A3

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