SCHEMBL28979082

SCHEMBL28979082

CCCCCCCCCCN1c2ccccc2N(C)C1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 11/20 0.46
KCNH2 Q12809 1/20 0.43
PDF Q9HBH1 1/20 0.41
CES1 P23141 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28979323 1.00 CDC25A (0.46) CDC25AKCNH2PDFCES1MEN1
SCHEMBL28979310 1.00 CDC25A (0.46) CDC25AKCNH2PDFCES1MEN1
SCHEMBL28979096 1.00 CDC25A (0.46) CDC25AKCNH2PDFCES1MEN1
SCHEMBL28283751 1.00 CDC25A (0.46) CDC25AKCNH2PDFCES1MEN1
SCHEMBL28979065 0.98 CDC25A (0.44) CDC25AKCNH2PDFCES1MEN1
SCHEMBL1992532 0.94 MEN1 (0.45) CDC25APDFMEN1POLBKMT2A
SCHEMBL28283868 0.88 MTNR1A (0.40) CDC25APDFMEN1POLBKMT2A
SCHEMBL28979084 0.83 CASP1 (0.37) CDC25AMEN1POLBKMT2AKDM4E
SCHEMBL28939231 0.81 GBA1 (0.35) CDC25AKCNH2MEN1KMT2AKDM4E
SCHEMBL28733508 0.81 GBA1 (0.35) CDC25AKCNH2MEN1KMT2AKDM4E

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-110475765-B Preparation method of amide compound 广荣化学株式会社 2023-04-07 CN disclosed