SCHEMBL6428645

SCHEMBL6428645

CSCCOC(=O)Nc1nc2c(c(=O)[nH]1)NCN2CC(=O)N(CCNS(=O)(=O)c1nc2ccccc2s1)CC(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27620330 0.87 ABL1 (0.33)
SCHEMBL4835790 0.84 MEN1 (0.34)
SCHEMBL4842968 0.79 MAPT (0.37)
SCHEMBL3138127 0.78 MEN1 (0.34)
SCHEMBL4838306 0.75 PDE4A (0.32)
SCHEMBL3137660 0.73 MAPT (0.37)
SCHEMBL3136458 0.72 TK2 (0.35)
SCHEMBL4843329 0.72 TK1 (0.32)
SCHEMBL4834952 0.71 PKM (0.33)
SCHEMBL4847336 0.71 ABL1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100347161-C PNA monomer and precursor PANAGENE INC (KR) 2007-11-07 CN disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US disclosed
CN-1659153-A PNA monomer and precursor PANAGENE INC (KR) 2005-08-24 CN disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US disclosed