SCHEMBL6820409

SCHEMBL6820409

CC(CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)c1)C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
APEX1 P27695 1/20 0.44
ALB P02768 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
KAT6A Q92794 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL6352680 0.82 SIRT2 (0.51) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6352026 0.79 SIRT2 (0.51) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6349541 0.79 SIRT2 (0.51) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6357891 0.79 APEX1 (0.51) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL7154921 0.77 ALB (0.51) MEN1KMT2AALBLMNASMN1; SMN2
SCHEMBL6353074 0.77 APEX1 (0.49) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6353732 0.77 APEX1 (0.57) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6352310 0.77 APEX1 (0.52) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6819989 0.77 ALB (0.54) MEN1KMT2AAPEX1ALBSIRT2
SCHEMBL6352388 0.75 ALB (0.51) MEN1KMT2AALBSIRT2LMNA

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
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed