SCHEMBL25257553

SCHEMBL25257553

CCOC(=O)c1c(C=O)c2ccc(SC)cc2n1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.40
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 3/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL25209171 0.83 KDM4E (0.55) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL22346601 0.77 KDM4E (0.53) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL26688411 0.76 KDM4E (0.55) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL22346715 0.74 KDM4E (0.53) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL25229367 0.73 KDM4E (0.42) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL22346724 0.72 KDM4E (0.54) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL25255359 0.72 LMNA (0.51) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL29364718 0.72 LMNA (0.51) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL12346514 0.71 LMNA (1.00) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL25217094 0.71 LMNA (0.65) LMNAKDM4EKMT2AMEN1MAPT

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-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed
WO-2022020424-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-27 WO disclosed