SCHEMBL28029544

SCHEMBL28029544

CC(C)(C)OC(=O)N1CCNCC1(N)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM1A O60341 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP30 Q70CQ3 2/20 0.34
KIT P10721 1/20 0.34
BTK Q06187 1/20 0.33
ABCB1 P08183 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL3733138 0.84 MAPK1 (0.39) MAPK1KDM4EPKMGPR119SIGMAR1
SCHEMBL27848285 0.83 KDM4E (0.41) MAPK1KDM4EPKMGPR119SIGMAR1
SCHEMBL28637688 0.81 NR1H2 (0.40) MAPK1KDM4EPKMGPR119KDM1A
SCHEMBL4710880 0.76 NR1H2 (0.39) MAPK1KDM4EPKMGPR119NR1H2
SCHEMBL30151394 0.76 NR1H2 (0.40) MAPK1KDM4EPKMGPR119KDM1A
SCHEMBL27696448 0.76 LMNA (0.40) MAPK1GPR119MEN1KMT2ANR1H2
SCHEMBL4321471 0.75 STS (0.39) MAPK1KDM4EPKMGPR119KMT2A
SCHEMBL11093077 0.74 MAPK1 (0.44) MAPK1KDM4EPKMGPR119MEN1
SCHEMBL27848384 0.74 GPR119 (0.42) MAPK1KDM4EPKMGPR119KDM1A
SCHEMBL29129161 0.73 MAPK1 (0.38) MAPK1KDM4EPKMGPR119KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105229002-A BET protein inhibiting dihydropyridopyrazinones Bayer Pharma AG 2016-01-06 CN disclosed