SCHEMBL8316401

SCHEMBL8316401

NC(=O)NCC[CH]CCNC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 4/20 0.33
NFKB1 P19838 2/20 0.33
LMNA P02545 2/20 0.33
MTNR1A P48039 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THPO P40225 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA5A P35218 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3347403 0.85 MTNR1A (0.31) MTNR1A
SCHEMBL5312005 0.81
SCHEMBL5804452 0.79
SCHEMBL9244970 0.79
SCHEMBL6285025 0.79
SCHEMBL175234 0.78 TDP1 (0.46) TDP1TSHRNFKB1LMNAMTNR1A
Formaldehyde SCHEMBL7061736 0.77 TDP1 (0.33) TDP1TSHRMTNR1A
SCHEMBL1142751 0.75
SCHEMBL8022415 0.74 TDP1 (0.31) TDP1
SCHEMBL29407486 0.74 TDP1 (0.31) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
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-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed