SCHEMBL7805302

SCHEMBL7805302

CCOc1cc(NCCCN)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.48
SLC2A1 P11166 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SYK P43405 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
TLR8 Q9NR97 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL7815368 0.92 KDM4E (0.54) NCF1SLC2A1KDM4EALDH1A1HPGD
SCHEMBL6607915 0.87 SLC2A1 (0.62) SLC2A1KDM4ESYKALDH1A1HPGD
Hydrochloric Acid SCHEMBL6607447 0.86 SLC2A1 (0.61) SLC2A1KDM4ESYKALDH1A1HPGD
SCHEMBL7812693 0.83 SLC2A1 (0.61) SLC2A1KDM4EHPGDSMN1; SMN2
SCHEMBL7805481 0.82 SLC2A1 (0.60) SLC2A1KDM4EHPGDSMN1; SMN2
SCHEMBL7805413 0.76 NCF1 (0.76) NCF1ALDH1A1TLR8
SCHEMBL27565798 0.75 KDM4E (0.51) NCF1SLC2A1KDM4EALDH1A1HPGD
SCHEMBL10401114 0.73 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10852857 0.72 SLC2A1 (0.39) NCF1SLC2A1KDM4EALDH1A1HPGD
SCHEMBL423902 0.71 CYP1A2 (0.55) NCF1TLR8SMN1; SMN2

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
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-2000021949-A1 QUINOLONES AS T-RNA SYNTHETASE INHIBITORS AND ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed