SCHEMBL10680903

SCHEMBL10680903

CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)O)[C@@H]2SC(C)=O)c2ccccc2)C(=O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCKBR P32239 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ SLC22A11 Q9NSA0 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA1 P00915 10/20 0.36
▸ CA2 P00918 10/20 0.36

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
SCHEMBL10682064 1.00 MEN1 (0.44) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10544823 0.92 MEN1 (0.45) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL11286211 0.89 MEN1 (0.43) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL11292716 0.89 MEN1 (0.43) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10817211 0.88 MEN1 (0.43) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10545811 0.88 MEN1 (0.43) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10659444 0.88 MEN1 (0.46) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10682987 0.88 MEN1 (0.46) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10546306 0.86 MEN1 (0.44) MEN1KMT2ACCKBRMAPTPDE3A
SCHEMBL10547045 0.85 MEN1 (0.42) MEN1KMT2ACCKBRMAPTPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0053815-B1 2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-05-08 — — EP disclosed
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