SCHEMBL9199565

SCHEMBL9199565

CCOC(=O)c1c[nH]c(-c2ccc(O)c(O)c2)nc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK3 P52333 6/20 0.43
JAK2 O60674 5/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4949580 0.82 SIRT2 (0.50) MEN1KMT2AJAK3JAK2GABRB2
SCHEMBL9205883 0.80 GUSB (0.45)
SCHEMBL4376723 0.80 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9199571 0.76 KDM4E (0.67) CSNK1DCA12CA1CA2CA7
SCHEMBL15215750 0.74 KMT2A (0.52) MEN1KMT2AGABRA1GABRB2ALDH1A1
SCHEMBL2845477 0.72 MEN1 (0.50) MEN1KMT2AJAK3JAK2GABRA1
SCHEMBL15015768 0.70 MEN1 (0.51) MEN1KMT2AGABRA1GABRB2ALDH1A1
SCHEMBL4415499 0.69 MEN1 (0.50) MEN1KMT2AJAK3JAK2GABRA1
SCHEMBL3228479 0.68 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL15333212 0.68 KMT2A (0.53) MEN1KMT2AGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341948-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1995-01-11 EP disclosed
US-5149803-A Intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 US disclosed
US-5055462-A CEPHALOSPORIN COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
EP-0341948-A2 Cephalosporins, process for their preparation and pharmaceutical compositions ZENECA LIMITED (GB) 1989-11-15 EP disclosed