SCHEMBL11289088

SCHEMBL11289088

CCN1CCN(C(=O)NC(C(=O)NC2CN(S(=O)(=O)O)C2=O)c2csc(NC(C)=O)n2)C(=O)C1=O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CCR2 P41597 5/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL11500718 0.92 PTPRB (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11289085 0.92 TDP1 (0.35) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11138991 0.91 PTPRB (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11292991 0.90 PTPRB (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11408587 0.89 PTPRB (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL10767272 0.89 PTPRB (0.35) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11132320 0.88 PTPRB (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL11398731 0.83 — —
SCHEMBL10551257 0.83 TDP1 (0.34) MAPTPTPRBPDE3ASLC22A6SLC22A8
SCHEMBL10551118 0.83 MAPT (0.36) MAPTPTPRBPDE3ASLC22A6SLC22A8

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-0053387-A1 Method of preparing 1-sulfo-2-oxoazetidine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-09 — — EP disclosed
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