SCHEMBL7398237

SCHEMBL7398237

CN1c2cccc(CN3C(=O)c4ccccc4C3=O)c2Sc2c(C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)cccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
CASP3 P42574 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7395719 0.90 GAA (0.34) KDM4EGAARECQLCASP3BRD4
SCHEMBL7392955 0.89 CDC25A (0.37)
SCHEMBL7388119 0.84
SCHEMBL7386861 0.74 CDC25A (0.32)
SCHEMBL7398238 0.74 GAA (0.34) KDM4EGAARECQLBRD4MEN1
SCHEMBL8702342 0.73 MEN1 (0.32) POLBHPGDMEN1KMT2A
SCHEMBL7395911 0.72 RECQL (0.36) KDM4EGAARECQLHPGDBRD4
SCHEMBL7395913 0.71 GAA (0.35) KDM4EGAARECQLBRD4MEN1
SCHEMBL7398242 0.70 GAA (0.33) KDM4EGAARECQLBRD4MEN1
SCHEMBL8634227 0.68 GAA (0.37) KDM4EGAARECQLBRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
EP-0592791-A2 Tricyclic compounds and peptide derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1994-04-20 EP disclosed