SCHEMBL10700146

SCHEMBL10700146

CC1(C)S[C@@H]2[C@H](NC=O)C(=O)N2[C@@]1(NC(=O)C(NC(=O)N1CCN(c2ccc(O)c(O)c2)C(=O)C1=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ CA1 P00915 13/20 0.34
▸ CA2 P00918 13/20 0.34
▸ KDM4E B2RXH2 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10700846 0.88 MEN1 (0.39) MEN1KMT2ACCKBRLMNACA1
Benzene SCHEMBL10702058 0.87 LMNA (0.38) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10700810 0.87 MEN1 (0.38) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10493032 0.84 MAPT (0.39) MEN1KMT2ACCKBRLMNATDP1
SCHEMBL11157011 0.84 MAPT (0.39) MEN1KMT2ACCKBRLMNATDP1
SCHEMBL10701775 0.84 MEN1 (0.39) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10701516 0.83 MEN1 (0.38) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10701799 0.83 MAPT (0.37) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10701237 0.81 LMNA (0.40) MEN1KMT2ACCKBRLMNACA1
SCHEMBL10493303 0.81 MAPT (0.45) MEN1KMT2ACCKBRLMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP claimed
EP-0293532-A1 6- or 7-beta-[2-[4-(substituted)-2,3-dioxopiperazin-1-yl) carbonylamino]-(substituted)acetamido]-penicillin and cephalosporin derivatives BEECHAM GROUP PLC (GB) 1988-12-07 — — EP disclosed
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