SCHEMBL6052736

SCHEMBL6052736

CC1[C@H](O)OC(=O)N1c1cccc(F)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GRM2 Q14416 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2108950 0.77 S1PR5 (0.47) KDM1ASMN1; SMN2GRM2ALDH1A1HTT
SCHEMBL6052732 0.72 CALML3 (0.48) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL26942219 0.68 KDM1A (0.61) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL23258887 0.68 KDM1A (0.54) KDM1AMAOAMAOBHTR1ASLC6A2
Formic Acid SCHEMBL28814039 0.66 KDM1A (0.52) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL6199847 0.66 PTPN1 (0.63) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL5020031 0.65 KDM1A (0.54) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL1019738 0.65 KDM1A (0.54) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL4153049 0.64 NPC1 (0.55) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL10638432 0.64 MEN1 (0.45) GRM2ALDH1A1MEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709044-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2006-10-11 EP disclosed
WO-2005058888-A2 OXAZOLIDINONE-QUINOLONE HYBRID ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2005-06-30 WO disclosed