SCHEMBL10436646

SCHEMBL10436646

COc1ccc(COc2ccc(CO/N=C(\C(=O)O)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ APP P05067 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ TLR7 Q9NYK1 1/20 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
SCHEMBL10436652 1.00 MAPT (0.39) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10747586 0.92 MAPT (0.44) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10804728 0.92 MAPT (0.44) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10436704 0.90 MAPT (0.38) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10436802 0.90 LMNA (0.38) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10436814 0.89 MAPT (0.39) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10436813 0.89 MAPT (0.39) MAPTGAAKMT2AMEN1NPSR1
SCHEMBL10746947 0.86 MMP13 (0.40) MAPTGAAKMT2AMEN1LMNA
SCHEMBL10804588 0.86 MMP13 (0.40) MAPTGAAKMT2AMEN1LMNA
SCHEMBL10436669 0.86 PTGER1 (0.37) MAPTGAAKMT2AMEN1NPSR1

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
EP-0400805-A1 Cephalosporin compounds and their use Ishimaru, Toshiyasu (JP) 1990-12-05 — — EP disclosed
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