SCHEMBL9150471

SCHEMBL9150471

O=C(NN1C=CC(=S)CC1=O)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
TOP1 P11387 3/20 0.41
TERT O14746 1/20 0.39
MAPT P10636 3/20 0.37
SNCA P37840 2/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPL P05186 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PTGS2 P35354 2/20 0.36
CA4 P22748 1/20 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
SCHEMBL7469481 0.65
SCHEMBL10430339 0.65 KDM4E (0.53) MAPTSNCAKDM4EGAARECQL
SCHEMBL4362534 0.64 HDAC6 (0.72) HDAC6TOP1TERTMAPTSNCA
SCHEMBL27828053 0.64 HDAC6 (0.72) HDAC6TOP1TERTMAPTSNCA
SCHEMBL18346609 0.62 HDAC6 (1.00) HDAC6TOP1TERTMAPTSNCA
SCHEMBL171446 0.62 HDAC6 (1.00) HDAC6TOP1TERTMAPTSNCA
SCHEMBL22763952 0.62 RAB9A (0.58) L3MBTL1ALPLKDM4EGAAALPG
SCHEMBL9672792 0.61 HDAC6 (0.44) HDAC6TOP1TERTMAPTSNCA
SCHEMBL9140722 0.61 HDAC6 (0.67) HDAC6TOP1TERTMAPTSNCA
SCHEMBL31472702 0.61 HDAC6 (0.67) HDAC6TOP1TERTMAPTSNCA

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-0416810-B1 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1995-02-08 EP disclosed
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 US disclosed
EP-0416810-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed