SCHEMBL10546313

SCHEMBL10546313

CCN1CCN(C(=O)NC(CSC2N=NNN2C)C(=O)NC2CNC2=O)C(=O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ NAAA Q02083 3/20 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
SCHEMBL10546296 0.84 TDP1 (0.33) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL11408442 0.80 CTSL (0.37) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL11397441 0.78 CTSL (0.35) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10680087 0.78 NAAA (0.36) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10550219 0.77 NAAA (0.37) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10553603 0.76 NAAA (0.35) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10546010 0.74 NAAA (0.45) NAAA
SCHEMBL10695608 0.71 MEN1 (0.46) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10547403 0.71 MAPT (0.44) TDP1MAPTPDE3ASLC22A6SLC22A8
SCHEMBL10972386 0.70 NAAA (0.34) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0021678-B1 1-SULPHO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREOF Takeda Chemical Industries, Ltd. (JP) 1984-11-07 — — EP disclosed
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