SCHEMBL31295481

SCHEMBL31295481

CC(C)Cn1c(=O)cc(Cl)n(Cc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ PDE1A P54750 3/20 0.43
▸ PDE1B Q01064 3/20 0.43
▸ PDE1C Q14123 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ C5AR1 P21730 1/20 0.43
▸ P2RX3 P56373 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL25827018 0.86 HPGD (0.57) HPGDKMT2AMEN1CYP3A4GSK3A
SCHEMBL31213524 0.83 HPGD (0.51) HPGDADORA3ADORA1KMT2AMEN1
SCHEMBL31213514 0.81 P2RX3 (0.48) HPGDBRD4KMT2AMEN1CYP3A4
SCHEMBL31213513 0.81 HPGD (0.52) HPGDADORA3ADORA1KMT2AMEN1
SCHEMBL25827062 0.78 CYP3A4 (0.69) HPGDADORA3KMT2AMEN1CYP3A4
SCHEMBL320830 0.77 RGS4 (0.53) HPGDADORA3KMT2AMEN1TSHR
SCHEMBL7847653 0.73 HPGD (0.51) HPGDKMT2AMEN1CYP3A4GSK3A
SCHEMBL8985073 0.73 GSK3B (0.67) HPGDKMT2AMEN1CYP3A4GSK3A
SCHEMBL10159514 0.72 MAPT (0.49) HPGDKMT2AMEN1CYP3A4GSK3A
SCHEMBL25129867 0.71 P2RX3 (0.66) P2RX3

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-119118931-A Barbituric acid derivative and preparation method thereof 武汉绿合医药科技有限公司 2024-12-13 — — CN disclosed
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