SCHEMBL7818007

SCHEMBL7818007

CC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HPGD P15428 4/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
IMPDH2 P12268 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 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
SCHEMBL7821468 0.81 MARS1 (0.60) MARS1HTTHPGDPLD2PLD1
SCHEMBL7807655 0.79 MARS1 (0.69) MARS1
SCHEMBL7818154 0.70 ALDH1A1 (0.47) MARS1ALDH1A1
SCHEMBL3384252 0.69 ATM (0.69) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7815904 0.69 MARS1 (0.52) MARS1
SCHEMBL7818445 0.68 KDM4E (0.46) MARS1CYP1A2CYP2C19HPGDIMPDH2
SCHEMBL178908 0.67 MARS1 (0.69) MARS1POLB
SCHEMBL7815628 0.66 MARS1 (0.87) MARS1
SCHEMBL7814886 0.65 MARS1 (0.71) MARS1
SCHEMBL7817722 0.65 MARS1 (0.64) 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