SCHEMBL7811044

SCHEMBL7811044

COc1cc(NCC2CCCC2N)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MCHR1 Q99705 1/20 0.46
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL7815332 0.96 SLC2A1 (0.50) SLC2A1MEN1KMT2AMCHR1ALOX15
SCHEMBL7978299 0.74 MCHR1 (0.62) SLC2A1MEN1KMT2AMCHR1ALOX15
SCHEMBL7978307 0.74 MCHR1 (0.62) SLC2A1MEN1KMT2AMCHR1ALOX15
SCHEMBL7978296 0.74 MCHR1 (0.62) SLC2A1MEN1KMT2AMCHR1ALOX15
SCHEMBL6607915 0.72 SLC2A1 (0.62) SLC2A1MEN1KMT2AALOX15SMN1; SMN2
SCHEMBL7812693 0.71 SLC2A1 (0.61) SLC2A1ALOX15SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL6607447 0.71 SLC2A1 (0.61) SLC2A1MEN1KMT2AALOX15SMN1; SMN2
SCHEMBL6605276 0.70 SLC2A1 (0.54) SLC2A1MEN1KMT2AMCHR1ALOX15
SCHEMBL6589693 0.70 SLC2A1 (0.54) SLC2A1MEN1KMT2AALOX15SMN1; SMN2
SCHEMBL7805481 0.70 SLC2A1 (0.60) SLC2A1SMN1; SMN2LMNAHPGDKDM4E

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