SCHEMBL4434892

SCHEMBL4434892

Cc1ccc(N(C(=O)OC(C)(C)C)C2CCCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
RPLP1 P05386 2/20 0.32
RPLP0 P05388 2/20 0.32
RPS17 P08708 2/20 0.32
RPSA P08865 2/20 0.32
RPS2 P15880 2/20 0.32

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
SCHEMBL4438072 0.92 MEN1 (0.35) KDM4EGAAALDH1A1LMNANPC1
SCHEMBL4434895 0.89 MAPK1 (0.37) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL4444773 0.89 HTT (0.38) GAALMNANPC1HTTRAB9A
SCHEMBL4445379 0.89 RPLP1 (0.38) MCOLN3KDM4EALDH1A1LMNANPC1
SCHEMBL5262268 0.89 MAPT (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4445337 0.89 MAPT (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4433895 0.88 KDM4E (0.39) MCOLN3KDM4EGAAALDH1A1LMNA
SCHEMBL4436446 0.88 JAK2 (0.37) GAAALDH1A1LMNANPC1HTT
SCHEMBL4439944 0.87 KMT2A (0.36) ALDH1A1HTTNPSR1KMT2ACYP3A4
SCHEMBL4436874 0.87 HTT (0.37) GAALMNANPC1HTTRAB9A

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