SCHEMBL7812306

SCHEMBL7812306

C=C(CN)CNc1cc(OC)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.62
ALOX15 P16050 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
APP P05067 4/20 0.40
ACHE P22303 4/20 0.40
PDE10A Q9Y233 1/20 0.39
BCHE P06276 2/20 0.39
RAD52 P43351 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
TTR P02766 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39

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 0.78 SLC2A1 (0.62) SLC2A1ALOX15HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6607447 0.77 SLC2A1 (0.61) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL7812693 0.77 SLC2A1 (0.61) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL7818347 0.76 SLC2A1 (0.63) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL7805481 0.76 SLC2A1 (0.60) SLC2A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL7805323 0.75 SLC2A1 (0.69) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL6607938 0.75 SLC2A1 (0.62) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL6606672 0.73 SLC2A1 (0.70) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL7805470 0.72 SLC2A1 (0.65) SLC2A1ALOX15HPGDLMNASMN1; SMN2
SCHEMBL6622619 0.72 SLC2A1 (0.65) SLC2A1ALOX15HPGDLMNASMN1; 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
CN-1307565-A Quinolones used as MRS inhibitor and bactericides SMITHKLINE BEECHAM PLC (GB) 2001-08-08 CN 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