SCHEMBL10493045

SCHEMBL10493045

CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@]3(NC=O)C(=O)OCc2ccccc2)c2ccccc2)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCKBR P32239 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 6/20 0.36
▸ CA2 P00918 6/20 0.36
▸ CTSS P25774 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL10493146 0.95 MAPT (0.40) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10635119 0.91 MEN1 (0.39) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10493067 0.90 MEN1 (0.48) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10493246 0.88 MEN1 (0.46) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10493112 0.87 MEN1 (0.46) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10492989 0.86 MAPT (0.49) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL11156752 0.86 MAPT (0.49) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10493190 0.86 MAPT (0.37) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10996886 0.84 MEN1 (0.38) MEN1KMT2ACCKBRLMNAMAPT
SCHEMBL10809228 0.83 MEN1 (0.38) MEN1KMT2ACCKBRLMNAMAPT

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-4877783-A β-lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1989-10-31 — — US disclosed
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
US-4609652-A FORMAMIDYL DERIVATIVES OF AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1986-09-02 — — US disclosed
US-4539149-A β-Lactam antibacterial agents BEECHAM GROUP P.L.C. (GB) 1985-09-03 — — US disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 — — EP disclosed
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