SCHEMBL4436014

SCHEMBL4436014

CC(C)(C)OC(=O)N(c1cc(F)ccc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.38
SLC6A4 P31645 12/20 0.37
SLC6A2 P23975 10/20 0.36
SNCA P37840 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4434450 0.92 TACR1 (0.38) TACR1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4434425 0.88 KDM4E (0.39) TACR1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4438391 0.85 KMT2A (0.36) SLC6A4SLC6A2SNCATDP1SLC6A3
SCHEMBL4437504 0.82 MAPT (0.45) TACR1TDP1MAPTMEN1KMT2A
SCHEMBL4433895 0.82 KDM4E (0.39) TACR1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4444516 0.81 MAPK1 (0.40) TACR1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL573693 0.80 QPCT (0.39) TACR1SLC6A4SLC6A2TDP1SLC6A3
SCHEMBL4439400 0.80 POLB (0.40) MAPTMEN1KMT2A
SCHEMBL4437157 0.80 HCAR3 (0.39) MAPTMEN1KMT2A
SCHEMBL4436886 0.80 SLC6A2 (0.35) TACR1SLC6A4SLC6A2SLC6A3MEN1

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