SCHEMBL7818445

SCHEMBL7818445

O=C(NCCNc1cc(=O)c2ccccc2[nH]1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.44
MARS1 P56192 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
IMPDH2 P12268 1/20 0.43
MEN1 O00255 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 1/20 0.41
CHRNA7 P36544 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 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
SCHEMBL7818154 0.78 ALDH1A1 (0.47) ALDH1A1MARS1KMT2A
SCHEMBL7821468 0.76 MARS1 (0.60) KDM4EALDH1A1HPGDHSD17B10MARS1
SCHEMBL7815904 0.72 MARS1 (0.52) MARS1
SCHEMBL5668076 0.72 MARS1 (0.59) MARS1
Ammonia Solution, Strong SCHEMBL5667906 0.71 MARS1 (0.58) MARS1
Hydrochloric Acid SCHEMBL5669755 0.71 MARS1 (0.58) MARS1
SCHEMBL2976082 0.70 MAPT (0.44) KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7995914 0.70 MARS1 (0.54) KDM4EMARS1CYP1A2GAA
Hydrochloric Acid SCHEMBL7992242 0.70 MARS1 (0.57) MARS1
Hydrochloric Acid SCHEMBL7817647 0.69 MARS1 (0.56) MARS1

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 claimed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP claimed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO claimed
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