SCHEMBL4445379

SCHEMBL4445379

COc1ccc(N(C(=O)OC(C)(C)C)C2CCCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPLP1 P05386 2/20 0.38
RPLP0 P05388 2/20 0.38
RPS17 P08708 2/20 0.38
RPSA P08865 2/20 0.38
RPS2 P15880 2/20 0.38
RPL35A P18077 2/20 0.38
RPL7 P18124 2/20 0.38
RPL17 P18621 2/20 0.38
RPS4Y1 P22090 2/20 0.38
RPS3 P23396 2/20 0.38
RPS12 P25398 2/20 0.38
RPL13 P26373 2/20 0.38
RPL10 P27635 2/20 0.38
RPL12 P30050 2/20 0.38
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.38
RPL22 P35268 2/20 0.38
RPL4 P36578 2/20 0.38
RPS19 P39019 2/20 0.38
RPL3 P39023 2/20 0.38
RPL13A P40429 2/20 0.38

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) RPLP1RPLP0RPS17RPSARPS2
SCHEMBL4439400 0.88 POLB (0.40) POLBMCOLN3ALDH1A1MAPTHPGD
SCHEMBL4434895 0.88 MAPK1 (0.37) KCNH2ALDH1A1MAPTMAPK1MEN1
SCHEMBL4444773 0.87 HTT (0.38) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL5262268 0.87 MAPT (0.40) KCNH2ALDH1A1MAPTMAPK1MEN1
SCHEMBL4445337 0.87 MAPT (0.40) KCNH2ALDH1A1MAPTMAPK1MEN1
SCHEMBL4436446 0.86 JAK2 (0.37) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL4439944 0.85 KMT2A (0.36) RPLP1RPLP0RPS17RPSARPS2
SCHEMBL4436874 0.85 HTT (0.37) POLBMAPTHPGDMEN1KMT2A
SCHEMBL4445222 0.84 RPLP1 (0.40) RPLP1RPLP0RPS17RPSARPS2

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