SCHEMBL4444516

SCHEMBL4444516

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TACR1 P25103 2/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NR1D1 P20393 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HTT P42858 1/20 0.35
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
SCHEMBL4433895 0.88 KDM4E (0.39) LMNASLC6A2SLC6A4ALDH1A1TACR1
SCHEMBL4434895 0.88 MAPK1 (0.37) MAPK1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4434450 0.88 TACR1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1TACR1
SCHEMBL4439400 0.87 POLB (0.40) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4437504 0.87 MAPT (0.45) MAPK1LMNAALDH1A1TACR1MAPT
SCHEMBL4437157 0.87 HCAR3 (0.39) MAPK1LMNAMAPTL3MBTL1SMN1; SMN2
SCHEMBL4445145 0.86 CYP2C9 (0.41) MAPK1LMNAALDH1A1MAPTKMT2A
SCHEMBL4434940 0.85 MEN1 (0.39) LMNAMAPTL3MBTL1SMN1; SMN2KMT2A
SCHEMBL4438391 0.85 KMT2A (0.36) MAPK1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4444969 0.83 VCAM1 (0.42) 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