SCHEMBL1132808

SCHEMBL1132808

NC1C(=O)N2C(C(=O)O)=C(C=O)CS[C@@H]12.N[C@@H]1C(=O)N2C(C(=O)O)=C(C=O)CS[C@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
DRD2 P14416 1/20 0.43
PTGS2 P35354 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SPOP O43791 5/20 0.41
CTDSP1 Q9GZU7 2/20 0.38
ABCC4 O15439 1/20 0.38

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
SCHEMBL1132036 1.00 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL8745854 1.00 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132191 1.00 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132192 1.00 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL1132035 1.00 TDP1 (0.55) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL2339862 0.90 TDP1 (0.54) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL5718275 0.89 DRD2 (0.54) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL5718272 0.89 DRD2 (0.54) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL10711332 0.89 DRD2 (0.54) TDP1KDM4EHSD17B10TSHRMAPT
SCHEMBL7572026 0.89 DRD2 (0.54) TDP1KDM4EHSD17B10TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340762-B1 Cephalosporin synthesis SANDOZ AG (CH) 2011-02-16 EP disclosed
US-6531465-B1 7-acylamino-3-(imino)methyl cephalosporins; 7-[[(5-Amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluormethoxyimino)acetyl]amino]-3-[[(piperazinoiminomethyl)hydrazono]methyl]-3-cephem-4-carboxylic acid; imination of 3-methyl derivative; acylation at the 7-amino; 1-[hydrazino(methylimino)methyl]piperazine intermediate BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2003-03-11 US disclosed
EP-0824535-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1998-02-25 EP disclosed