SCHEMBL29446444

SCHEMBL29446444

CC(CN(C)C)n1c(=S)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.59
▸ MPO P05164 9/20 0.58
▸ XDH P47989 5/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.49
▸ PRNP P04156 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FEN1 P39748 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL24324387 0.74 PLK1 (1.00) PLK1
SCHEMBL2730488 0.73 MPO (1.00) MPOXDHMEN1KMT2ARXFP1
SCHEMBL2732033 0.72 MPO (1.00) PLK1MPOXDHMEN1KMT2A
SCHEMBL15549239 0.70 MPO (1.00) MPOXDHMEN1KMT2ARXFP1
SCHEMBL31160837 0.67 FEN1 (0.57) MPOXDHMEN1KMT2AFEN1
SCHEMBL2730994 0.66 XDH (0.62) MPOXDHMEN1KMT2AALDH1A1
SCHEMBL23045531 0.66 ALDH1A1 (0.71) MPOXDHMEN1KMT2ARXFP1
SCHEMBL29446368 0.66 MPO (0.57) PLK1MPOXDHMEN1KMT2A
SCHEMBL26655709 0.66 MPO (0.57) PLK1MPOXDHMEN1KMT2A
SCHEMBL26655708 0.66 MPO (0.67) PLK1MPOXDHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216958-A2 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-08-02 — — EP disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 — — WO disclosed
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