SCHEMBL3273603

SCHEMBL3273603

NCc1cc(CN)cc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.67
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MAOA P21397 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALOX5 P09917 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP4F2 P78329 1/20 0.51

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
SCHEMBL214186 0.96 MAOB (0.67) MAOBGAAMAPTMAOARAB9A
SCHEMBL28102941 0.91 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
SCHEMBL214947 0.89 MAOB (0.59) MAOBGAAMAPTMAOARAB9A
SCHEMBL11917557 0.88 MAOB (0.57) MAOBGAAMAPTMAOARAB9A
SCHEMBL30207536 0.86 MAOB (0.70) MAOBGAAMAPTMAOARAB9A
SCHEMBL538599 0.86 MAOB (0.70) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL538603 0.85 MAOB (0.73) MAOBMAOAALOX5CYP4F2CYP4A11
SCHEMBL3509302 0.84 MAOB (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL15761346 0.83 LMNA (0.61) MAOBGAAMAPTMAOARAB9A
SCHEMBL4674930 0.83 MEN1 (0.70) MAOBGAAMAPTMAOARAB9A

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-1923473-B1 Bis-diglycolamides (BISDGA) as new extractants for lanthanides [Ln(III)] and actinides [An(III)] from aqueous high-level wastes UNIV MADRID AUTONOMA (ES) 2010-06-23 EP disclosed
EP-1923473-A1 Bis-diglycolamides (BISDGA) as new extractants for lanthanides [Ln(III)] and actinides [An(III)] from aqueous high-level wastes Universidad Autónoma de Madrid (ES) 2008-05-21 EP disclosed