SCHEMBL28529474

SCHEMBL28529474

CCc1c(-c2cnc(C)cn2)cc(C(N)=O)c(C)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.34
ALOX5AP P20292 2/20 0.34
PIK3CB P42338 1/20 0.33
PARP1 P09874 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL28531660 0.84 SIRT3 (0.36) PIK3CBPARP1
SCHEMBL28531112 0.76 MKNK1 (0.41) PARP1HSP90AA1
SCHEMBL27983418 0.74 CCNC (0.51)
SCHEMBL28539500 0.73 GRIK1 (0.36)
SCHEMBL27983939 0.73 CHEK2 (0.39)
SCHEMBL28542740 0.73 MKNK1 (0.52) HSP90AA1
SCHEMBL28910335 0.71 AR (0.44)
SCHEMBL28536246 0.70 PARP1 (0.49) PARP1
SCHEMBL28530697 0.69 IKBKB (0.45)
SCHEMBL28530617 0.69 IKBKB (0.45) PIK3CB

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-107311921-B Aryl or heteroaryl substituted benzene compounds EPIZYME股份有限公司 2021-02-12 CN disclosed