SCHEMBL28696148

SCHEMBL28696148

COC(=O)C1=NC2=CN(C(=O)OC(C)(C)C)CCC2=N1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
ALDH1A1 P00352 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ESR2 Q92731 1/20 0.32
GPR119 Q8TDV5 5/20 0.31
GRM5 P41594 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28655779 0.74 NR1H2 (0.38) NR1H2HDAC1HDAC6EEDRBBP4
SCHEMBL28686795 0.73 ESR2 (0.34) NR1H2ESR2GPR119GRM5USP2
SCHEMBL29100795 0.70 ESR2 (0.34) NR1H2ESR2GPR119GRM5USP2
SCHEMBL20690515 0.70 ALDH1A1 (0.40) NR1H2ALDH1A1ESR2GPR119PTPN2
SCHEMBL17481737 0.68 USP2 (0.41) NR1H2ALDH1A1ESR2GPR119PTPN2
SCHEMBL2980997 0.68 ESR2 (0.43) NR1H2ALDH1A1ESR2GPR119PTPN2
SCHEMBL28449477 0.68 USP2 (0.36) NR1H2ALDH1A1ESR2GPR119GRM5
SCHEMBL5697477 0.66 NR1H2 (0.39) NR1H2HDAC1HDAC6EEDRBBP4
SCHEMBL20548916 0.66 GPR119 (0.33) NR1H2ESR2GPR119GRM5
SCHEMBL17942084 0.65 GPR119 (0.39) NR1H2ALDH1A1ESR2GPR119PTPN2

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-113939295-A Pyridazinones and methods of use thereof 金翅雀生物公司 2022-01-14 CN disclosed