SCHEMBL3733138

SCHEMBL3733138

CC(C)(C)OC(=O)N1CCNC[C@@]1(C)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABCB1 P08183 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP30 Q70CQ3 3/20 0.34
RORC P51449 2/20 0.34
KDM1A O60341 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
SCHEMBL28439086 0.86 SMARCA2 (0.37) MAPK1GPR119NR1H2USP30
SCHEMBL28439087 0.85 EGFR (0.36) MAPK1NR1H2NR1H3USP30
SCHEMBL27848285 0.84 KDM4E (0.41) MAPK1KDM4EPKMSIGMAR1GPR119
SCHEMBL28029544 0.84 MAPK1 (0.39) MAPK1KDM4EPKMSIGMAR1GPR119
SCHEMBL27626264 0.83 SIGMAR1 (0.44) MAPK1SIGMAR1MEN1KMT2AUSP2
SCHEMBL28670928 0.82 USP2 (0.35) MAPK1GPR119NR1H2NR1H3USP2
SCHEMBL5478401 0.82 USP2 (0.35) MAPK1GPR119NR1H2NR1H3USP2
SCHEMBL16636874 0.82 USP2 (0.35) MAPK1GPR119NR1H2NR1H3USP2
SCHEMBL28975611 0.78 USP2 (0.34) MAPK1NR1H2USP2
SCHEMBL4710880 0.77 NR1H2 (0.39) MAPK1KDM4EPKMGPR119NR1H2

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-2170866-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2009002469-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2008-12-31 WO disclosed