SCHEMBL11058890

SCHEMBL11058890

CCN1CCN(C(=O)NC(C(=O)NC2CN(S(=O)(=O)O)C2=O)c2ccc(Cl)cc2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ F10 P00742 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ PTPRB P23467 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL11296221 0.99 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11151309 0.92 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10556576 0.91 TDP1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11294922 0.91 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10678486 0.91 MEN1 (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11291351 0.90 MEN1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11290920 0.90 MAPT (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11292237 0.89 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11403391 0.88 MAPT (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11294817 0.83 KMT2A (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
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