SCHEMBL23957611

SCHEMBL23957611

CCNC(CCCCN)CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
TK1 P04183 3/20 0.32
KMT2A Q03164 1/20 0.32
TYMP P19971 2/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 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
SCHEMBL23957704 0.86 TNKS (0.34) TNKSTK1TYMPHTTMAPK1
SCHEMBL24540180 0.79 TNKS (0.32) TNKSTK1HTT
SCHEMBL24540235 0.79 TYMP (0.39) TK1TYMPHTTMAPK1
SCHEMBL16297679 0.78 MAPK1 (0.40) TK1TYMPMAPK1
SCHEMBL24540175 0.74 MAPK1 (0.39) TK1KMT2ATYMPMAPK1
SCHEMBL14542978 0.72 MAPK1 (0.40) TK1TYMPMAPK1
SCHEMBL7761597 0.69 HPGD (0.41) TK1TYMPMAPK1
SCHEMBL3918737 0.69 TK1 (0.40) TK1MAPK1
SCHEMBL5366400 0.68 KMT2A (0.40) TK1KMT2ATYMPMAPK1
SCHEMBL8045900 0.67 TK1 (0.46) TK1TYMPMAPK1

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
US-20210332413-A1 METHODS AND COMPOSITIONS FOR GENOMIC TARGET ENRICHMENT AND SELECTIVE DNA SEQUENCING PetaOmics, Inc. 2021-10-28 US disclosed