SCHEMBL30176231

SCHEMBL30176231

CC(N)CNC(=O)C(=O)NCC(C)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL28967955 0.87 KDM4E (0.38) CYP2D6CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL24369549 0.84 CYP2D6 (0.33) CYP2D6CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL54007 0.84 TGFBR1 (0.38) CYP2D6CYP2C19ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL452931 0.82 TGFBR1 (0.37) CYP2D6CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL10098454 0.81
SCHEMBL856065 0.81
SCHEMBL20001276 0.81
SCHEMBL842714 0.81
SCHEMBL16103419 0.81
SCHEMBL4528459 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115920970-B Heterobinuclear copper-based catalyst for synthesizing chloroethylene and preparation method and application thereof 浙江工业大学 2024-12-06 CN claimed
CN-115779968-B Copper-based catalyst for preparing vinyl chloride by hydrochlorination of acetylene as well as preparation method and application thereof 浙江工业大学 2024-02-13 CN claimed
CN-115920970-A Heterobinuclear copper-based catalyst for synthesizing vinyl chloride and preparation method and application thereof 浙江工业大学 2023-04-07 CN claimed
CN-115779968-A Copper-based catalyst for preparing vinyl chloride through acetylene hydrochlorination reaction and preparation method and application thereof 浙江工业大学 2023-03-14 CN claimed
CN-115920970-B Heterobinuclear copper-based catalyst for synthesizing chloroethylene and preparation method and application thereof 浙江工业大学 2024-12-06 CN disclosed
CN-115920970-A Heterobinuclear copper-based catalyst for synthesizing vinyl chloride and preparation method and application thereof 浙江工业大学 2023-04-07 CN disclosed
CN-115779968-A Copper-based catalyst for preparing vinyl chloride through acetylene hydrochlorination reaction and preparation method and application thereof 浙江工业大学 2023-03-14 CN disclosed