SCHEMBL4434940

SCHEMBL4434940

CC(C)(C)OC(=O)N(c1ccc(C(=O)C2CC2)cc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR3 P49019 4/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
VCAM1 P19320 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL4437157 0.90 HCAR3 (0.39) MEN1KMT2AHCAR3LMNAHTT
SCHEMBL4436874 0.89 HTT (0.37) MEN1CYP2D6KMT2AHCAR3LMNA
SCHEMBL4444969 0.87 VCAM1 (0.42) MEN1KMT2AHCAR3LMNAHTT
SCHEMBL4433895 0.86 KDM4E (0.39) MEN1CYP2D6KMT2AHCAR3LMNA
SCHEMBL4444516 0.85 MAPK1 (0.40) MEN1KMT2ALMNAHTTNPC1
SCHEMBL4434450 0.85 TACR1 (0.38) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL4439400 0.84 POLB (0.40) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4437504 0.84 MAPT (0.45) MEN1CYP2D6KMT2ALMNAMAPT
SCHEMBL4445145 0.83 CYP2C9 (0.41) MEN1KMT2ALMNAHTTNPC1
SCHEMBL4438391 0.82 KMT2A (0.36) CYP2D6KMT2ALMNAHTTMAPT

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