SCHEMBL23957704

SCHEMBL23957704

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TYMP P19971 2/20 0.34
HPGD P15428 1/20 0.33
TK1 P04183 2/20 0.33
TK2 O00142 1/20 0.33

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
SCHEMBL23957611 0.86 TNKS (0.34) TNKSMAPK1HTTTYMPTK1
SCHEMBL16297679 0.82 MAPK1 (0.40) MAPK1TYMPHPGDTK1
SCHEMBL24540235 0.76 TYMP (0.39) MAPK1HTTTYMPHPGDTK1
SCHEMBL24540180 0.76 TNKS (0.32) TNKSHTTTK1TK2
SCHEMBL24540175 0.73 MAPK1 (0.39) MAPK1TYMPHPGDTK1TK2
SCHEMBL8045900 0.70 TK1 (0.46) MAPK1TYMPHPGDTK1
SCHEMBL5349908 0.70 TK1 (0.39) HPGDTK1TK2
SCHEMBL3918737 0.70 TK1 (0.40) MAPK1HPGDTK1
SCHEMBL6065649 0.69 HPGD (0.42) MAPK1TYMPHPGDTK1
SCHEMBL452185 0.68 MAPK1 (0.53) MAPK1TYMPHPGDTK1

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