SCHEMBL4865411

SCHEMBL4865411

COc1ccc(COC(=O)Nc2ccn(N(CCNS(=O)(=O)c3nc4ccccc4s3)CC(=O)O)c(=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
PKM P14618 2/20 0.38
GLO1 Q04760 2/20 0.36
TACR3 P29371 1/20 0.36
MAPT P10636 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35

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
SCHEMBL4839459 0.87 ABL1 (0.44) ABL1RIN1PKMGLO1TACR3
SCHEMBL4865415 0.84 PKM (0.37) PKMGLO1MAPTKMT2AMEN1
SCHEMBL3132617 0.82 ABL1 (0.41) ABL1RIN1PKMGLO1MAPT
SCHEMBL4404872 0.79 ABL1 (0.46) ABL1RIN1MAPTKMT2AMEN1
SCHEMBL4838665 0.79 ABL1 (0.51) ABL1RIN1PKMGLO1MAPT
SCHEMBL4407963 0.74 ABL1 (0.48) ABL1RIN1PKMMAPTKDM4E
SCHEMBL4838731 0.74 PKM (0.34) PKMGLO1TACR3MAPTKMT2A
SCHEMBL4838083 0.74 ABL1 (0.38) ABL1RIN1GLO1MAPTKMT2A
SCHEMBL4834952 0.74 PKM (0.33) PKMGLO1MAPTKMT2AMEN1
SCHEMBL4842968 0.72 MAPT (0.37) ABL1RIN1MAPTALDH1A1NPC1

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-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed