SCHEMBL28250548

SCHEMBL28250548

CC(C)(C)OC(=O)CNc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.40
KLKB1 P03952 3/20 0.40
PLG P00747 3/20 0.40
KLK1 P06870 3/20 0.40
KLK6 Q92876 3/20 0.40
NR1H2 P55055 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
CYP17A1 P05093 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
TPSAB1 Q15661 1/20 0.38
HDAC3 O15379 1/20 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
SCHEMBL1688815 0.88 POLB (0.47) POLBMAPTTDP1FPR3FPR2
SCHEMBL16355781 0.86 MAPT (0.43) POLBMAPTTDP1CYP17A1CTNNB1
SCHEMBL5346268 0.83 LOXL2 (0.53) LOXL2POLBKLKB1PLGKLK1
SCHEMBL4615301 0.83 NR1H4 (0.47) POLBCA2
SCHEMBL4612953 0.83 SMN1; SMN2 (0.51) MAPT
SCHEMBL1039226 0.82 MAPT (0.47) POLBMAPTTDP1CA1CA2
SCHEMBL8139519 0.81 TPSAB1 (0.45) LOXL2PLGNR1H2MAPTTDP1
SCHEMBL5807704 0.81 POLB (0.42) POLBMAPTTDP1FPR3FPR2
SCHEMBL8299387 0.81 FPR2 (0.47) POLBMAPTFPR3FPR2CA1
SCHEMBL9135786 0.81 MAPT (0.52) POLBMAPTTDP1FPR2CA1

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
CN-108623547-A A kind of benzo/aphthofurans ketone aryl imine class compound and its synthetic method 湖南大学 2018-10-09 CN claimed
CN-108623547-A A kind of benzo/aphthofurans ketone aryl imine class compound and its synthetic method 湖南大学 2018-10-09 CN disclosed