SCHEMBL7818347

SCHEMBL7818347

COc1cc(NCC(C)(C)CN)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.63
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CDC7 O00311 2/20 0.44
DAPK3 O43293 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
PAK4 O96013 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
CDK2 P24941 2/20 0.44
FLT3 P36888 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CDK8 P49336 2/20 0.44
CLK2 P49760 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
PRKX P51817 2/20 0.44

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
SCHEMBL6607915 0.79 SLC2A1 (0.62) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL7805323 0.79 SLC2A1 (0.69) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL7812693 0.78 SLC2A1 (0.61) SLC2A1HPGDLMNASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL6607447 0.78 SLC2A1 (0.61) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL7805481 0.77 SLC2A1 (0.60) SLC2A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL7812306 0.76 SLC2A1 (0.62) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL6607938 0.73 SLC2A1 (0.62) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL7805470 0.73 SLC2A1 (0.65) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL6622619 0.73 SLC2A1 (0.65) SLC2A1HPGDLMNASMN1; SMN2ALOX15
SCHEMBL6618497 0.73 SLC2A1 (0.46) SLC2A1SMN1; SMN2KMT2A

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
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-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed