SCHEMBL2229604

SCHEMBL2229604

O=c1c(CNCCC2CCOCC2)c(NCCC2CCOCC2)nc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
METTL3 Q86U44 6/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GBA1 P04062 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PRKDC P78527 1/20 0.36
PKM P14618 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 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
SCHEMBL12517358 0.81 GBA1 (0.51) GAAL3MBTL1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2229679 0.80 GBA1 (0.50) GAAL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL2227543 0.79 ALDH1A1 (0.52) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL2228484 0.78 MAPT (0.44) GAAMETTL3MAPTL3MBTL1KDM4E
SCHEMBL2227475 0.78 MAPT (0.52) GAAMETTL3MAPTL3MBTL1KDM4E
SCHEMBL2287837 0.75 KAT2B (0.46) MAPTL3MBTL1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2227870 0.73 HPGD (0.44) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12517360 0.71 HPGD (0.37) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL2229253 0.70 RAB9A (0.47) GAAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL2227877 0.69 METTL3 (0.41) GAAMETTL3MAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed